New Journal of Chemistry最新文献

{"title":"Mixed-halide engineering in a homopiperazinium hybrid salt: structural disorder description, electronic structure analysis, and bioactivity evaluation","authors":"Sandra Walha, Mokhtar Hjiri and Ali Ben Ahmed","doi":"10.1039/D6NJ01450J","DOIUrl":"https://doi.org/10.1039/D6NJ01450J","url":null,"abstract":"<p >Organic–inorganic hybrid halide materials have attracted considerable attention due to their tunable structural, optical, and biological properties. However, mixed-halide homopiperazinium-based systems remain insufficiently explored, particularly regarding the relationship between structural disorder, electronic structure, and multifunctional behavior. In this work, a new mixed-halide hybrid salt, homopiperazinium bromochloride (C<small>₅</small>H<small>₁₄</small>N<small>₂</small>)BrCl, was synthesized by slow evaporation and comprehensively investigated using experimental and theoretical approaches. Single-crystal X-ray diffraction analysis reveals a centrosymmetric monoclinic structure (<em>P</em>2<small>₁</small>/<em>n</em>) characterized by occupational disorder of Br<small>⁻</small> and Cl<small>⁻</small> anions over equivalent crystallographic sites. The crystal packing is stabilized by an extensive three-dimensional hydrogen-bonding network involving N–H⋯Br/Cl and C–H⋯Br/Cl interactions. Hirshfeld surface analysis confirms that halide–hydrogen contacts dominate the intermolecular interactions. Density functional theory calculations support the experimental structural model and reveal pronounced charge separation between the organic cation and mixed-halide anions. Frontier molecular orbital analysis indicates a wide HOMO–LUMO energy gap of 5.15 eV, consistent with the optical band gap determined experimentally from UV-visible diffuse reflectance and Kubelka–Munk analysis. ELF, NCI, and electrostatic potential analyses further highlight the ionic nature of the organic–inorganic interface and the role of weak non-covalent interactions in structural stabilization. Biological investigations demonstrate enhanced antibacterial, antioxidant, and antidiabetic activities of the mixed-halide salt compared with the parent homopiperazine compound. The combination of structural stability, wide band gap, strong polarity, and promising bioactivity highlights the potential of (C<small>₅</small>H<small>₁₄</small>N<small>₂</small>)BrCl as a multifunctional hybrid material for optoelectronic and biomedical applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 22","pages":" 9590-9604"},"PeriodicalIF":2.5,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148193762","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":"Alkane dehydrogenation catalyzed by a PN3P pincer iridium hydride complex","authors":"Kher Ai Chiaw, Suma Basappa, Manoj V. Mane, Kuo-Wei Huang, Nicholas Long and Sandeep Suryabhan Gholap","doi":"10.1039/D6NJ01950A","DOIUrl":"https://doi.org/10.1039/D6NJ01950A","url":null,"abstract":"<p >The use of an iridium-based pincer complex, specifically the PN<small>³</small>P pincer ligand backbone, for an efficient alkane dehydrogenation reaction is explored. Herein, we investigate the catalytic performance of a PN<small>³</small>P pincer iridium dihydride complex (<strong>Ir2</strong>) in the dehydrogenation reaction of cyclooctane to cyclooctene. With 0.1 mol% of Ir2, cyclooctane with <em>tert</em>-butylethylene (TBE) as a hydrogen acceptor and NaO<small>^<em>t</em></small>Bu as a base, we achieved conversion up to 55% of <em>tert</em>-butylethylene (TBE) with a TON up to 546. These results highlight the potential of PN<small>³</small>P pincer iridium dihydride complexes as robust catalysts for selective alkane dehydrogenation under mild reaction conditions. Furthermore, DFT calculations strongly support our proposed mechanism.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 25","pages":" 10377-10381"},"PeriodicalIF":2.6,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/nj/d6nj01950a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148336658","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 gas-templated CeO2 nanoparticle coating with tailored defects for enhanced UV durability of PET films","authors":"Liang Zhu, Yulei Liu, Jianyong Huang, Liangbin Li, Changfeng Liu, Haichao Qi, Jingbin Hou, Chao Li and Heng Li","doi":"10.1039/D6NJ01030J","DOIUrl":"https://doi.org/10.1039/D6NJ01030J","url":null,"abstract":"<p >Polyethylene terephthalate (PET) suffers from photo-oxidative degradation under prolonged ultraviolet (UV) exposure, limiting its service life in packaging and outdoor applications. Although CeO<small>₂</small> nanoparticles (CeO<small>₂</small> NPs) offer efficient UV absorption, conventional synthesis methods yield severely agglomerated particles with poor dispersion, compromising both shielding efficiency and optical transparency. Herein, we report a gas-templating strategy to synthesize well-dispersed CeO<small>₂</small> NPs with a uniform size (∼10.8 nm) and a high specific surface area (109.2 m<small>²</small> g<small>⁻¹</small>). Spectroscopic analyses reveal that CeO<small>₂</small> NPs possess a narrower optical bandgap, a higher Ce<small>³⁺</small>/Ce<small>⁴⁺</small> ratio, and a higher concentration of surface oxygen vacancies than conventionally prepared bulk CeO<small>₂</small>, collectively enhancing UV absorption. When incorporated into a UV-curable coating on PET films, the CeO<small>₂</small> NPs coating achieves a broad UV cutoff approaching approximately 360 nm while maintaining high visible transparency (∼86%). The coated film exhibits excellent UV durability with negligible transmittance change after 100 h of continuous irradiation and enhanced scratch resistance. This work establishes a facile strategy for high-performance UV-blocking coatings, extending PET durability in demanding applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 22","pages":" 9629-9638"},"PeriodicalIF":2.5,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148193765","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":"Carbon-encapsulated hierarchical TS-1 zeolites with enhanced hydrophobicity and catalytic epoxidation performance","authors":"Yining Chen, Fangna Shangguan, Weilong Chun, Lijia Li, Xin Yang, Jiale Qi, Yujing Xun and Huiyong Chen","doi":"10.1039/D6NJ00456C","DOIUrl":"https://doi.org/10.1039/D6NJ00456C","url":null,"abstract":"<p >TS-1 zeolite demonstrates notable activity and selectivity in cycloolefin epoxidation when employing H<small>₂</small>O<small>₂</small> as the oxidant. However, the practical application of conventional TS-1 is significantly limited by factors including surface hydrophilic structures and mass transfer constraints. To address these challenges, carbon-encapsulated hierarchical TS-1 (3DC_TS-1) has been synthesized through the confined growth approach, in which 3DOm carbon is used as a confined space provider for TS-1 crystallization and further acts as a hydrophobic wrapper to modulate the surface microenvironment of TS-1 crystals. In the epoxidation of cyclopentene and cyclohexene using H<small>₂</small>O<small>₂</small> as the oxidant, the hydrophobic 3DC_TS-1 catalyst exhibits a superior selectivity to epoxide products by suppressing epoxide hydrolysis and allyl oxidation side reactions, compared with the 3D_TS-1 catalyst without the carbon wrapper and the conventionally microporous TS-1 catalyst. It is expected that the demonstrated carbon encapsulation strategy can be applied to the control synthesis of other types of zeolite catalysts.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 25","pages":" 10529-10538"},"PeriodicalIF":2.6,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148336685","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":"Atomic precision engineering of heterometallic hexanuclear Al/M MOFs for supercapacitor applications","authors":"Bo Yan, Wenjuan Ji, Shu-Cong Fan, Weiwei Pei, Guifang Liu, Bingqiang Wang, Quanguo Zhai and Yunlong Fu","doi":"10.1039/D6NJ00933F","DOIUrl":"https://doi.org/10.1039/D6NJ00933F","url":null,"abstract":"<p >Heterometallic metal–organic frameworks (HMOFs) are transformative platforms for electrochemical energy storage, offering unparalleled structural and electronic tunability through the integration of distinct metal centers. However, synthesizing HMOFs with discrete heterometallic clusters co-assembled by main-group aluminum and d-block transition metals remains challenging, due to intrinsic mismatches in coordination geometry, ligand affinity, and hydrolysis kinetics between disparate metal species. Overcoming these challenges, coupled with the pervasive stability–activity trade-off in HMOF-based electrodes, requires innovative synthetic strategies and mechanistic insights into charge storage and ion/electron transport. Herein, we report a dual atomic strategy integrating multi-metal modification and isonicotinic acid preoccupation to address these challenges, yielding three isomorphic hexanuclear Al/M-MOFs with the formula {[Al<small>₁₂</small>M<small>₆</small>O<small>₆</small>(OH)<small>₆</small>(Ina)<small>₆</small>(BTB)<small>₈</small>][NO<small>₃</small>]<small>₆</small>}<small>_<em>n</em></small> (SXNU-20-Al/M, M = Mn, Co, Ni, H<small>₃</small>BTB = 1,3,5-tris(4-carboxyphenyl)benzene, Ina = isonicotinic acid) with a 12-connected dual-wall cage-in-cage architecture. These frameworks exhibit exceptional stability and high specific capacitances at 1 A g<small>⁻¹</small>: 162.86 (Mn), 168.39 (Co), and 208.66 mAh g<small>⁻¹</small> (Ni). Density functional theory calculations reveal that OH<small>⁻</small> adsorption around μ<small>₂</small>-OH ligands enhances the reducibility of SXNU-20-Al/Ni, facilitating faradaic redox reactions. This strategy advances HMOF-based supercapacitor performance, offering insights for advanced energy storage materials design.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 25","pages":" 10411-10422"},"PeriodicalIF":2.6,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148336680","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":"The active sites for peroxydisulfate activation by N-doped carbon with zinc impurities","authors":"Yuanhong Qi, Zongyong Zhang, Lijuan Luo, Min Zhao and Shuchang Wu","doi":"10.1039/D6NJ01176D","DOIUrl":"https://doi.org/10.1039/D6NJ01176D","url":null,"abstract":"<p >The activity origin of N-doped porous carbon with Zn impurities for PDS activation was deciphered. It indicated that the Zn residuals were almost inactive for the reaction, while the graphitic N species served as primary active sites and the graphitic structures significantly enhanced the performance.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 24","pages":" 10001-10005"},"PeriodicalIF":2.6,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285314","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":"Dual biocatalytic one-pot deracemization of aryl-ring-containing secondary alcohols via sequential oxidation–reduction","authors":"Hebah Abuzenah, Jabir Khan, Frank Hollmann, Masateru Takahashi, Etsuko Takahashi, Samir M. Hamdan and Musa M. Musa","doi":"10.1039/D6NJ01585A","DOIUrl":"https://doi.org/10.1039/D6NJ01585A","url":null,"abstract":"<p >We report a one-pot two-step deracemization strategy for aryl-ring-containing secondary alcohols using a dual biocatalytic system that combines an unspecific peroxygenase and an alcohol dehydrogenase. In this approach, unspecific peroxygenase from <em>Agrocybe aegerita</em> (<em>Aae</em>UPO) catalyzes the non-stereoselective oxidation of secondary alcohols to their corresponding ketones. The resulting ketones are subsequently subjected to enantioselective reduction using the secondary alcohol dehydrogenase from <em>Thermoanaerobacter pseudoethanolicus</em> (<em>TeS</em>ADH), affording optically active alcohols with high conversion and enantiomeric excesses of up to 99%. By selecting appropriate <em>Te</em>SADH mutants, the system enables the independent, highly enantioselective synthesis of either alcohol enantiomer. Notably, the <em>Aae</em>UPO-catalyzed oxidation proceeds without external cofactors and generates water as the sole byproduct. This work establishes a useful biocatalytic platform for the asymmetric synthesis of enantiopure alcohols.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 22","pages":" 9639-9643"},"PeriodicalIF":2.5,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148193766","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 smartphone-based dual-channel flame photometric platform and its application in ratiometric determination of potassium ions","authors":"Jianzhi Dou, Xiaoyi Bai, Junying Ge, Haiyan Song and Dazhong Shen","doi":"10.1039/D6NJ01549B","DOIUrl":"https://doi.org/10.1039/D6NJ01549B","url":null,"abstract":"<p >Herein, a smartphone-based dual-channel flame photometric platform was developed for the ratiometric determination of potassium ions, which can potentially be operated in an on-site mode. The test solution was introduced into an air–butane flame from a windproof lighter using a combination of a cosmetic ultrasonic nebulizer and a T-glass tube assembly. With the help of a reflection mirror and two bandpass filters at central wavelengths of 760 and 850 nm, the images of flame atomic emission spectra of K (at 766 and 771 nm) and Cs (at 852 nm) were recorded by an external infrared camera controlled by a smartphone. The brightness of the K and Cs channels was measured for the simultaneous determination of K<small>⁺</small> and Cs<small>⁺</small>. In a ratiometric detection mode, 100 µM of Cs<small>⁺</small> was added to the Cs-free samples and standard solutions. The brightness ratios between the K and Cs channels were used as analytic signals, effectively eliminating errors caused by variations in aerosol amount, combustion conditions of the flame and the image detection area. Under optimal experimental conditions, the ratiometric brightness was in a linear relation with the K<small>⁺</small> concentration in the range from 2 to 200 µM, with a detection limit of 0.61 µM. The portable flame photometric device was used in the determination of K<small>⁺</small> in water, juice, urine, and compound fertilizer samples, offering the advantages of good portability, low cost and high reliability.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 25","pages":" 10567-10574"},"PeriodicalIF":2.6,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148336701","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 dual-functional nanoplatform for the tracking of formaldehyde and neuroprotection in Parkinson's disease","authors":"Liang Zhou, Xiangzhu Zhai, Shiyuan Fan, Zicheng Wang, Sufang Ma, Yanhua Cui, Yunfei Bai, Jianfei Liu, Chengwu Zhang and Wen Liu","doi":"10.1039/D5NJ04895H","DOIUrl":"https://doi.org/10.1039/D5NJ04895H","url":null,"abstract":"<p >Parkinson's disease (PD), the second most common neurodegenerative disorder, currently affects 6 million people and is expected to reach 10 million by 2030. Mounting evidence indicates that dysregulated dopamine catabolism and mitochondrial dysfunction jointly increase endogenous formaldehyde (FA) levels in the substantia nigra above normal levels. Elevated levels of FA provoke oxidative stress and inflammatory damage, and ultimately result in neuronal apoptosis. Therefore, the detection and intervention of FA levels are of vital importance for the early prevention and treatment of PD. Herein, a theranostic nanoplatform (<strong>Res-W NPs</strong>) was designed by nano-co-depositing the FA-activatable fluorescent probe <strong>W-2</strong> with resveratrol (Res). It exhibited a pronounced fluorescence turn-on response to FA, with a 0.64 µmol L<small>⁻¹</small> detection limit and high selectivity over potential interferents, which was applied to monitor FA at cellular, tissue, and <em>in vivo</em> levels. In addition, the nanoplatform could relieve rotenone-induced oxidative stress damage and reduce the apoptosis of cells. Therefore, this theranostic nanoplatform, capable of simultaneous FA sensing and neuroprotection, provided a new strategy for the early diagnosis and intervention of PD.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 22","pages":" 9644-9652"},"PeriodicalIF":2.5,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148193767","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":"Tuning Pt surface adsorption energy with a Cr2O3 thin layer for efficient photocatalytic overall water splitting","authors":"Zhengzhi Han, Xiaofeng Ning, Zhiquan Yin, Bitao Su and Wenlong Zhen","doi":"10.1039/D6NJ01406B","DOIUrl":"https://doi.org/10.1039/D6NJ01406B","url":null,"abstract":"<p >Visible-light-driven one-step excitation photocatalytic overall water splitting (OWS) under ambient pressure constitutes a sustainable route for the conversion of inexhaustible solar energy into clean hydrogen energy. Although graphitic carbon nitride (C<small>₃</small>N<small>₄</small>) possesses both visible-light responsiveness and a moderate band structure, its catalytic efficiency is drastically hampered by the rapid recombination of photoexcited carriers and inevitable hydrogen–oxygen reverse reactions. To overcome these critical bottlenecks, a Cr<small>₂</small>O<small>₃</small>/Pt/C<small>₃</small>N<small>₄</small> catalyst was successfully constructed <em>via in situ</em> photodeposition. Notably, the as-prepared Cr<small>₂</small>O<small>₃</small>/Pt/C<small>₃</small>N<small>₄</small> catalyst enables efficient visible-light-driven one-step excitation OWS, exhibiting a catalytic activity 4 times superior to that of pristine Pt/C<small>₃</small>N<small>₄</small>. Combining density functional theory (DFT) calculations and structural characterization, it was found that the <em>in situ</em> deposited Cr<small>₂</small>O<small>₃</small> protective layer on the cocatalyst effectively modulates the electronic structure and adsorption energy of Pt, thereby inhibiting the oxygen–hydrogen recombination reaction and enabling stable and efficient hydrogen production. This work thereby lays a theoretical foundation and offers technical pathways for the design strategy and application exploration of highly efficient C<small>₃</small>N<small>₄</small>-based photocatalysts.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 24","pages":" 10229-10235"},"PeriodicalIF":2.6,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285362","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}