New Journal of Chemistry最新文献

{"title":"Correction: Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent","authors":"Wissam Habibi, Saadia Ouizat, Mohamed Chellegui, Bushra Shakoor, Marwa Alaqarbeh, Mohamed Adel Sayed, Mostafa Khouili, Abdessamad Tounsi, Haydar A. Mohammad-Salim and Mohamed Anouar Harrad","doi":"10.1039/D5NJ90127H","DOIUrl":"https://doi.org/10.1039/D5NJ90127H","url":null,"abstract":"<p >Correction for ‘Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent’ by Wissam Habibi <em>et al.</em>, <em>New J. Chem.</em>, 2025, <strong>49</strong>, 14810–14821, https://doi.org/10.1039/D5NJ01851J.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16892-16892"},"PeriodicalIF":2.5,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/nj/d5nj90127h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190146","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":"Biologically relevant morpholino nucleoside thio- and dithiophosphates via an oxathiaphospholane approach","authors":"Katarzyna Jastrzębska, Justyna Jakubowska, Agata Szymańska, Weronika Stępniak, Roza Pawlowska and Arkadiusz Chworos","doi":"10.1039/D5NJ02865E","DOIUrl":"https://doi.org/10.1039/D5NJ02865E","url":null,"abstract":"<p >Appropriately protected morpholino nucleoside 6′-<em>O</em>-(2-thio)-1,3,2-oxathiaphospholanes and 6′-<em>O</em>-(2-thio)-1,3,2-dithiaphospholanes react with 3-hydroxypropionitrile in the presence of a strong base catalyst (DBU), yielding morpholino nucleoside 6′-<em>O</em>-(α-thiophosphates) and 6′-<em>O</em>-(α,α-dithiophosphates), respectively. The synthesized compounds exhibit low cytotoxicity toward human cells, indicating their favorable biocompatibility and potential for further biological and therapeutic applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16481-16484"},"PeriodicalIF":2.5,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/nj/d5nj02865e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190154","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":"Electronic tailoring of Ni–NbB2 nanorods via molten salt synthesis for high-efficiency alkaline hydrogen evolution","authors":"Yuhui Sun, Bozhen Li, Jihui Lang, Guangbo Che, Yuanyuan Wu and Mengxiang Shang","doi":"10.1039/D5NJ02968F","DOIUrl":"https://doi.org/10.1039/D5NJ02968F","url":null,"abstract":"<p >The design of efficient and durable electrocatalysts for enhancing the kinetics of the hydrogen evolution reaction (HER) in alkaline water electrolysis is a significant challenge. Borides have attracted extensive attention due to their excellent corrosion resistance and unique structures. In this study, NbB<small>₂</small> was synthesized by the molten salt method, and then a metal nickel source was incorporated into the synthesized NbB<small>₂</small> to prepare a nickel-doped NbB<small>₂</small> electrocatalyst (Ni–NbB<small>₂</small>) with a nanorod structure. Notably, Ni–NbB<small>₂</small> exhibited an overpotential of only 239 mV at a current density of 10 mA cm<small>⁻²</small>, significantly lower than that of pure NbB<small>₂</small> (562 mV), and also demonstrated long-term stability. The doping of metal nickel regulated the electronic structure of the metal Nb on the catalyst surface, accelerating the kinetics of the HER reaction. Moreover, the doping of Ni increased the number of catalytic active sites, promoting the full contact between the electrolyte and the catalytic reaction sites and accelerating the charge transfer rate. These findings open up new possibilities for enhancing the HER catalytic activity of metal borides through the strategy of heterometal doping.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16828-16834"},"PeriodicalIF":2.5,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190187","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":"Can external electric field influence the B–Hb⋯π interaction? a computational insight","authors":"Bapan Saha","doi":"10.1039/D5NJ02893K","DOIUrl":"https://doi.org/10.1039/D5NJ02893K","url":null,"abstract":"<p >A computational study was performed for scrutinizing the effect of positively and negatively directed external electric field (EEF, within the range of −0.0200 to +0.0200 a.u.) on the B–H<small>_b</small>⋯π interaction of diborane (Db) with benzene, borazine, pyridine, pyrrole, furan, thiophene, cyclopentadienyl anion, pentazolate anion, ethene, ethyne, cyclobutadiene and oxygen for the first time. The MP2/cc-pVTZ level of theory was used for all calculations. Apart from B–H<small>_b</small>⋯π interaction, variations in molecular electrostatic potential (MEP), HOMO energy, charge transfer (Δ<em>q</em>), global hardness (<em>η</em>), electrophilicity (<em>ω</em>), chemical potential (<em>μ</em>) and dipole moment were analysed in the presence of EEF. The strength of B–H<small>_b</small>⋯π interactions in Db-Ben, Db-Py, Db-Pyr, Db-Fur, Db-Eth, Db-Ethy, Db-CBD and Db-Oxy complexes increased in the presence of EEF along the positive <em>x</em>-direction and was more than doubled (from 1.26 to 5.34 kcal mol<small>⁻¹</small>, up to 166%) at +0.0200 a.u. EEF. However, the stability of Db-Bora, Db-Thio, Db-Cp<small>⁻</small> and Db-Pnz<small>⁻</small> complexes increased in the presence of EEF along the negative <em>x</em>-direction and was more than doubled (from 2.73 to 18.10 kcal mol<small>⁻¹</small>, up to 134%) at −0.0200 a.u. HOMO energy, charge transfer, global hardness, electrophilicity, chemical potential and dipole moment also varied in the presence of an EEF and were found to be magnitude and direction sensitive, especially along the <em>x</em>-direction.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16804-16819"},"PeriodicalIF":2.5,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190185","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":"Smartphone-based paper LPS sensor: achieving picomolar ultra-sensitive detection","authors":"Shipeng Jiang, Siyu Han, Xinyi Wang, Yueran Ma, Yue Chen, Mingyang Sun, Peiran Meng, Shaokai Du and Yue Sun","doi":"10.1039/D5NJ01756D","DOIUrl":"https://doi.org/10.1039/D5NJ01756D","url":null,"abstract":"<p >Rapid and portable lipopolysaccharide (LPS) detection is of great clinical significance. In this study, a paper-based (PB) sensor for rapid LPS detection was developed based on a smartphone and ultrafast atom transfer radical polymerization (UATRP). First, the filter paper (FB) was modified with chitosan (CS) and glutaraldehyde (GA). LPS was modified onto FB using an amino aptamer (Apt), and this <em>cis</em>-diol site from LPS was selectively cross-linked with the boronic acid group of the initiator 4-(bromomethyl) phenylboronic acid (BPA). Then, UATRP was performed using carbon quantum dots (CQDs) as the catalyst and methacrolein (MLA) as the functional monomer, to generate aldehyde-rich polymer brushes on filter paper. After the efficient covalent conjugation of abundant aldehyde groups with chlorinated Nile blue (CNB), the paper-based sensor was successfully prepared. RGB values were obtained by a smartphone application (App) for analysis. Under the optimized experimental conditions, the developed sensor demonstrated good performance compared to other PB-based sensors. It achieved a lower detection limit (LOD) of 22.86 pg mL<small>⁻¹</small> (S/N = 3) and exhibited a wider linear detection range (1.0 × 10<small>²</small> to 1.0 × 10<small>⁸</small> pg mL<small>⁻¹</small>). Importantly, the sensor exhibited both high selectivity and remarkable operational stability during LPS detection. These results not only validate the sensor's analytical reliability but also provide a strong foundation for clinical applications and broader biomedical uses.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16870-16878"},"PeriodicalIF":2.5,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145189965","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":"Design of a Eu3+-post-synthetic modified MOF ratiometric fluorescent probe for recyclable recognition of light green SF","authors":"Kuiyu Yi and Qifeng Zhao","doi":"10.1039/D5NJ02296G","DOIUrl":"https://doi.org/10.1039/D5NJ02296G","url":null,"abstract":"<p >Light green SF (LGSF), a pervasive dye posing a grave risk to human health, urgently demands the creation of a straightforward, swift, sensitive, intuitive, and recyclable detection method. In this research endeavor, we have innovatively designed a Eu<small>³⁺</small>@MOF-1 ratiometric fluorescent (RF) probe, utilizing a post-synthetic modification (PSM) approach, for the efficient detection of LGSF in lake water and green-colored beverages. This probe exhibits distinctive fluorescence emission properties, characterized by dual emission peaks at 443 nm and 614 nm. In the presence of LGSF, the emission intensity at 443 nm remains constant, functioning as an internal reference, while the emission intensity at 614 nm decreases progressively. This shift is attributed to the principle of fluorescence resonance energy transfer (FRET), where LGSF effectively quenches the fluorescence of Eu<small>³⁺</small>@MOF-1 at 614 nm, thereby enabling RF detection of LGSF. Notably, the luminescence color of Eu<small>³⁺</small>@MOF-1 undergoes a significant change from red to blue upon LGSF addition, which is readily observable by the naked eye. A thorough analysis of the fluorescence quenching mechanism of LGSF on Eu<small>³⁺</small>@MOF-1 has been conducted. Furthermore, the Eu<small>³⁺</small>@MOF-1 RF probe exhibits robustness, enduring five testing cycles with a clear transition from red to blue in each iteration, underscoring its high stability and reproducibility. Experimental findings reveal that the Eu<small>³⁺</small>@MOF-1 RF probe exhibits remarkable specificity, sensitivity, and exceptional regeneration capabilities for LGSF detection. This RF probe offers a potent tool for monitoring water pollution and identifying illicit additions of LGSF in yellow-green beverages, highlighting its broad spectrum of application prospects.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16787-16796"},"PeriodicalIF":2.5,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190183","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":"One-step ultrasound-assisted synthesis of a MoO3/NiFe LDH heterojunction for an efficient oxygen evolution reaction","authors":"Yuhao Li, Jie Zhou, Qianqian Dong, Jihao Liu, Junjie Wang, Yaru Wen, Qianqian Jin, Zijun Sun, Jinghua Liu and Xiong He","doi":"10.1039/D5NJ02532J","DOIUrl":"https://doi.org/10.1039/D5NJ02532J","url":null,"abstract":"<p >Constructing heterojunction interfaces represents an effective approach to designing high-performance electrocatalysts for water oxidation, yet realizing practical heterostructures presents significant challenges. Herein, we have successfully developed and fabricated a novel MoO<small>₃</small>/NiFe LDH heterojunction material through an efficient one-pot ultrasound-assisted hydrothermal synthesis strategy. The as-prepared MoO<small>₃</small>/NiFe LDH exhibits outstanding electrocatalytic performance for oxygen evolution, achieving a low overpotential of merely 234 mV to drive 50 mA cm<small>⁻²</small> current density, while showing excellent operational durability with minimal potential variation following continuous operation for 100 hours under identical current conditions. The ultrasonic treatment facilitates the formation of a dense, coral reef-inspired nanostructure with uniform morphology, substantially increasing the available catalytic surface area while creating abundant accessible active centers. Furthermore, the heterojunction interface between MoO<small>₃</small> and NiFe LDH facilitates efficient interfacial electron transfer, thereby accelerating the OER kinetics. This study offers an innovative and scalable approach for constructing heterojunction electrocatalysts, offering new ideas for the logical design of advanced and innovative materials for energy conversion applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16740-16749"},"PeriodicalIF":2.5,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190179","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":"Enhanced white light generation via Eu3+ co-doping and Dy3+→Eu3+ energy transfer in Ca3WO6 phosphors for WLEDs","authors":"Naresh Degda","doi":"10.1039/D5NJ02989A","DOIUrl":"https://doi.org/10.1039/D5NJ02989A","url":null,"abstract":"<p >Dy<small>³⁺</small>/Eu<small>³⁺</small> co-doped cold white-emitting Ca<small>₃</small>WO<small>₆</small> double perovskites were synthesized <em>via</em> the conventional solid-state reaction at 1200 °C. The energy transfer (ET) mechanism and tunable white photoluminescence (PL) behavior of Ca<small>₃</small>WO<small>₆</small>:0.015Dy<small>³⁺</small>,<em>y</em>Eu<small>³⁺</small> phosphors were thoroughly examined. The monoclinic crystal structure of the phosphors was determined by X-ray diffraction (XRD), while morphological analysis was conducted <em>via</em> scanning electron microscopy (SEM). The Ca<small>₃</small>WO<small>₆</small>:0.015Dy<small>³⁺</small> phosphor displays prominent blue emission at 485 nm (<small>⁴</small>F<small>_9/2</small>-<small>⁶</small>H<small>_15/2</small>) and yellow emission at 575 nm (<small>⁴</small>F<small>_9/2</small>-<small>⁶</small>H<small>_13/2</small>) when excited at 353 nm. Upon excitation at 353 nm, the emission spectrum of Ca<small>₃</small>WO<small>₆</small>:0.015Dy<small>³⁺</small>,<em>y</em>Eu<small>³⁺</small> (<em>y</em> = 0.01–0.05) reveals peaks at 485 nm, 575 nm, and 613 nm, attributed to the characteristic transitions of Dy<small>³⁺</small> and Eu<small>³⁺</small> ions. The Dy<small>³⁺</small> → Eu<small>³⁺</small> ET enabled tunable white emission within the white spectral region. The maximum ET efficiency, calculated to be 66.34%, was recorded at an optimal Eu<small>³⁺</small> concentration of 0.05%. The mechanisms underlying the energy transfer and concentration quenching were explained using Dexter's theory. Additionally, the ET efficiency calculated using decay lifetime, <em>i.e.</em> 69.65%, validates the results of ET efficiency. A simplified energy level diagram of the Dy<small>³⁺</small>–Eu<small>³⁺</small> co-doped system was created to illustrate ET pathways and clarify the fundamental mechanisms. The CIE color coordinates of Ca<small>₃</small>WO<small>₆</small>:0.015Dy<small>³⁺</small>,0.01Eu<small>³⁺</small> are found very close to the standard white points, and hence, it is examined for temperature-dependent PL. The phosphor showed excellent thermal stability, retaining 81.09% of its intensity at LED operating temperature, making it a promising candidate for white LED applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16691-16699"},"PeriodicalIF":2.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190173","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":"Microfluidic continuous synthesis of size-tunable CAU-17 for efficient electrocatalytic CO2 reduction","authors":"Xiaoyuan Luo, Zhenze Han, Xuetian Guo, Yu Wei and Yan Gao","doi":"10.1039/D5NJ02880A","DOIUrl":"https://doi.org/10.1039/D5NJ02880A","url":null,"abstract":"<p >Bismuth-based metal–organic frameworks (MOFs) have shown promise in the electrocatalytic CO<small>₂</small> reduction reaction (ECO<small>₂</small>RR) due to their abundant active sites and high selectivity. In this study, microfluidic synthesis technology was innovatively introduced to achieve the continuous synthesis of the bismuth-based MOF material CAU-17. Compared with the hydrothermal method, by adjusting the flow rate while keeping the temperature and Bi<small>³⁺</small> reaction concentration constant, the particle size and morphology could be effectively controlled, and the synthesis time was reduced to 1/36 of that of the traditional method. CAU-17 particles with different sizes showed different reactivity sensitivities to the ECO<small>₂</small>RR. CAU-17-F<small>₆₀</small> with the smallest particle size showed the highest Faraday efficiency of 92.79% for formate at −1.2 V<small>_RHE</small>, along with a larger electrochemically active surface area and lower interfacial resistance. It could be electrolyzed stably for 12 h, during which the average FE<small>_formate</small> remained above 90% all the time. This study thoroughly demonstrates the significant potential of microfluidic technology in the precise control of fine structures and performance optimization of MOF catalysts, offering a new idea and a generalizable path for the sustainable preparation of efficient ECO<small>₂</small>RR catalysts.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16608-16616"},"PeriodicalIF":2.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190157","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":"Cage engineering via isomerism: a computational study of octanitrocuneane (C8N8O16) as a potential high-energy density material","authors":"Yunlu Li, Dongrun Tang, Mei Xue, Shangbiao Feng, Guanchao Lan and Jianlong Wang","doi":"10.1039/D5NJ02965A","DOIUrl":"https://doi.org/10.1039/D5NJ02965A","url":null,"abstract":"<p >The energy-safety dilemma in high-energy density materials (HEDMs) necessitates innovative molecular design strategies. Here, we report the first systematic computational investigation of octanitrocuneane (<strong>isoONC</strong>), a constitutional isomer of octaniotrocubane (<strong>ONC</strong>), as a model system for cage engineering <em>via</em> structural isomerism. Density functional theory calculations reveal that <strong>isoONC</strong> achieves comparable energetic properties (density = 2.07 g cm<small>⁻³</small>, detonation velocity = 9.8 km s<small>⁻¹</small>) to <strong>ONC</strong> (density = 2.06 g cm<small>⁻³</small>, detonation velocity = 9.8 km s<small>⁻¹</small>) while potentially offering enhanced safety performance. The cuneane framework has a 5.3% reduction in cage strain energy from 967.4 to 916 kJ mol<small>⁻¹</small> and a 52% improvement in calculated impact sensitivity threshold from 3.2 cm to 4.9 cm (<em>h</em><small>₅₀</small>). Enhanced safety originates from stronger trigger bonds (284.5 <em>vs.</em> 274.5 kJ mol<small>⁻¹</small>), more uniform electrostatic potential distribution, reduced steric frustration and enhanced intermolecular interactions. This computational study establishes structural isomerization as a promising molecular design strategy for cage-type energetic materials, though experimental validation remains essential.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 38","pages":" 16797-16803"},"PeriodicalIF":2.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190184","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}