Inorganic Chemistry Communications最新文献

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Developments of ceramic Er2O3/ZrO2 nanoparticles boosted TPU/GO composite for flexible optoelectronic and capacitor applications 陶瓷Er2O3/ZrO2纳米颗粒的发展促进了TPU/GO复合材料在柔性光电和电容器领域的应用
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-26 DOI: 10.1016/j.inoche.2025.115570
Fwzah H. Alshammari
{"title":"Developments of ceramic Er2O3/ZrO2 nanoparticles boosted TPU/GO composite for flexible optoelectronic and capacitor applications","authors":"Fwzah H. Alshammari","doi":"10.1016/j.inoche.2025.115570","DOIUrl":"10.1016/j.inoche.2025.115570","url":null,"abstract":"<div><div>Polymer dielectric materials are attractive for high-power applications but suffer from low energy density and a trade-off between permittivity, breakdown strength, and mechanical integrity, which is exacerbated by poor filler–matrix compatibility and agglomeration. In the present study, thermoplastic polyurethane (TPU) is incorporated through the incorporation of various nanocomposites, including Er<sub>2</sub>O<sub>3</sub>/TPU, ZrO<sub>2</sub>/TPU, Er<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub>/TPU, and Er<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub>/GO/TPU. The objective is to analyze the impact of each composite on TPU films, aiming to achieve superior performance in dielectric characterization. TPU dielectric composites were prepared using solution-casting technique. XRD is used to investigate the crystal structure of different phases that exist in the film. Er<sub>2</sub>O<sub>3</sub>/TPU, ZrO<sub>2</sub>/TPU, Er<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub>/TPU, and Er<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub>/GO/TPU showed crystallite sizes of 33, 31.9, 32.8, and 32.9 nm, respectively. However, by using SEM, the average sizes of agglomeration of Er<sub>2</sub>O<sub>3</sub> and ZrO<sub>2</sub> were measured at around 8.08 μm and 5.3 μm, respectively. FTIR and Raman spectroscopy were utilized to investigate the structural and elemental characteristics of nano-fillers. Additionally, the thermal properties of the Er<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub>/TPU and Er<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub>/GO/TPU nanocomposites have been studied using thermogravimetry (TGA) at temperatures from 20 to 600 °C. The mechanical properties of all samples are measured. For specimen loading, GO-filled nanocomposite demonstrates the highest value of tensile strength across 51.86 ± 0.65 MPa, and the elongation at break demonstrated an improvement, rising to 636 % ± 25 with Young's modulus at 3.75 ± 0.53 MPa and hardness value at 84 ± 0.31. Hence, the sample containing TPU/Er<sub>2</sub>O<sub>3</sub>/Zr<sub>2</sub>O and GO exhibited higher ε' when contrasted with other samples at room temperature. However, the pure TPU exhibited the lowest ε', which means the dipole concentration was minimal, and the material exhibited dielectric behavior. The conductivity of the sample, which included GO, has been noted to increase by 1.3 times compared to the other sample, indicating that GO enhances the conductivity of the films. The behavior of dielectric permittivity (ε') of a sample that includes TPU/Er<sub>2</sub>O<sub>3</sub> increased 1.15 times compared to the neat TPU.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115570"},"PeriodicalIF":5.4,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216479","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}
引用次数: 0
An efficient amorphous ternary Ni-B-Ce catalyst for enhancing electrocatalytic oxidation performance of BH4− 一种提高BH4−电催化氧化性能的高效非晶态三元Ni-B-Ce催化剂
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-26 DOI: 10.1016/j.inoche.2025.115578
Ying Zhang , Xiao Tian , Yanling Li , Jiale Han , Zhihai Wen , Yuxin Li , Fenglong Wu , Wei Li
{"title":"An efficient amorphous ternary Ni-B-Ce catalyst for enhancing electrocatalytic oxidation performance of BH4−","authors":"Ying Zhang ,&nbsp;Xiao Tian ,&nbsp;Yanling Li ,&nbsp;Jiale Han ,&nbsp;Zhihai Wen ,&nbsp;Yuxin Li ,&nbsp;Fenglong Wu ,&nbsp;Wei Li","doi":"10.1016/j.inoche.2025.115578","DOIUrl":"10.1016/j.inoche.2025.115578","url":null,"abstract":"<div><div>The development and utilization of anode catalysts are key to the advancement of direct borohydride fuel cells (DBFC). In this paper, Ni<img>B and Ni-B-Ce compounds were synthesized by the chemical reduction method. The electrocatalytic oxidation properties of Ni-B-Ce compound toward BH<sub>4</sub><sup>−</sup> were systematically investigated. The microstructures of Ni<img>B and Ni-B-Ce were characterized by inductively coupled plasma-optical emission spectrometer (ICP-OES), X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), and X-ray photoelectron spectroscopy (XPS). The electrochemical oxidation of BH<sub>4</sub><sup>−</sup> was evaluated on Ni-B/NF and Ni-B-Ce/NF electrodes <em>via</em> cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), chronoamperometry (CA), chronopotentiometry (CP), and electrochemical active surface area (ECSA) measurements. The results showed that the catalytic activity and stability of Ni-B-Ce were better than those of Ni<img>B compound, and the Ce content affected the catalytic performance of Ni-B-Ce compound. The Ce<sub>0.25</sub> catalyst was more conducive to the BOR reaction. To conclude, Ni<img>B and Ni-B-Ce can be used as potential DBFC anode catalyst materials, and introducing rare earth element Ce improves the catalytic performance of Ni<img>B alloy.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115578"},"PeriodicalIF":5.4,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216354","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}
引用次数: 0
A lysosome-target fluorescence turn-on probe for exogenous and endogenous HClO detection and its biological applications 用于外源性和内源性HClO检测的溶酶体靶荧光开启探针及其生物学应用
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-25 DOI: 10.1016/j.inoche.2025.115549
Wen Qin , Ya-Tong Liu , Guiying Hu , Yan Zhao , Chuanbin Fan , Yue-Li Zou , Zhiyong Xing
{"title":"A lysosome-target fluorescence turn-on probe for exogenous and endogenous HClO detection and its biological applications","authors":"Wen Qin ,&nbsp;Ya-Tong Liu ,&nbsp;Guiying Hu ,&nbsp;Yan Zhao ,&nbsp;Chuanbin Fan ,&nbsp;Yue-Li Zou ,&nbsp;Zhiyong Xing","doi":"10.1016/j.inoche.2025.115549","DOIUrl":"10.1016/j.inoche.2025.115549","url":null,"abstract":"<div><div>A new fluorescence probe <strong>QW-Lyso</strong> conjugated by isophorone and 2-hydroxy-1-naphthaldehyde was synthesized and characterized by <sup>1</sup>H NMR, <sup>13</sup>C NMR, HRMS and X-ray Crystallography. The probe demonstrated outstanding selectivity and high sensitivity to HClO with an obvious color change and fluorescence turn on response, and the limit of detection was calculated as 85 nM. Furthermore, the possibility mechanism was verified by <sup>1</sup>H NMR titration, HRMS, and DFT calcualtion. Moreover, <strong>QW-Lyso</strong> was successfully used to image both endogenous and exogenous HClO in living cells, zebrafish, and mice. Colocalization investigation demonstrated that probe <strong>QW-Lyso</strong> had good lysosomal-targeting and high-contrast imaging abilities, which provided a beneficial tool for the development of HClO fluorescent probe with more efficient application in biological imaging.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115549"},"PeriodicalIF":5.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216476","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}
引用次数: 0
In situ growth of hollow Cu2O nanosoheres on BiOBr nanosheets and its synergistic photocatalysis-persulfate activation activity 空心Cu2O纳米微球在BiOBr纳米片上的原位生长及其协同光催化-过硫酸盐活化活性
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-25 DOI: 10.1016/j.inoche.2025.115567
Zhenqi Liu , Gangya Cheng , Chengyue Han , Yiran Teng , Yanbo Chen , Juan Xu , Tongguang Xu , Fei Teng
{"title":"In situ growth of hollow Cu2O nanosoheres on BiOBr nanosheets and its synergistic photocatalysis-persulfate activation activity","authors":"Zhenqi Liu ,&nbsp;Gangya Cheng ,&nbsp;Chengyue Han ,&nbsp;Yiran Teng ,&nbsp;Yanbo Chen ,&nbsp;Juan Xu ,&nbsp;Tongguang Xu ,&nbsp;Fei Teng","doi":"10.1016/j.inoche.2025.115567","DOIUrl":"10.1016/j.inoche.2025.115567","url":null,"abstract":"<div><div>In this work, uniform hollow Cu₂O nanospheres are <em>in situ</em> grown on BiOBr nanosheets (Cu<sub>2</sub>O@BiOBr, C<img>B). The synergistic photocatalysis‑sodium persulfate (PS) activation was utilized to degrade tetracycline (TC) and rhodamine B (RhB). The RhB degradation efficiency of Vis/Cu<sub>2</sub>O@BiOBr/PS system was 3.16 and 7.97 times higher than that of Vis/BiOBr/PS system and Vis/BiOBr system, respectively. Theoretical calculations showed that the Cu<sub>2</sub>O@BiOBr heterojunction could effectively promote the charge separation of photogenerated electron-hole pairs. For TC, the degradation efficiency reached 90 % at 180 min by Vis/Cu<sub>2</sub>O@BiOBr/PS. Furthermore, the toxicity of the degradation products for TC were evaluated by quantitative structure-effect relationship (QSAR), showing that compared to TC, some products have a higher acute toxicity and a higher bioaccumulation factor. As a result, the degraded solution had a higher toxicity to bacteria. This work warns us that the analysis of degradation products is crucial, otherwise, secondary pollution will pose a greater danger to the ecosystem. It is an urgent and crucial need to develop truly safe technology and it is highly desirable to get a complete mineralization technology for environmental sustainability.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115567"},"PeriodicalIF":5.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216357","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}
引用次数: 0
Tailoring structure and bioactivity of sol-gel derived borate glasses and glass-ceramics through calcination for tissue engineering 组织工程用溶胶-凝胶衍生硼酸盐玻璃和玻璃陶瓷的煅烧裁剪结构和生物活性
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-25 DOI: 10.1016/j.inoche.2025.115554
D. Rajeshwari , D. Swathi Rohitha , A. Prasad , Raghavendra Gujjala , P. Venkateswara Rao , Narayanan Madaboosi , Mutlu Özcan , P. Syam Prasad
{"title":"Tailoring structure and bioactivity of sol-gel derived borate glasses and glass-ceramics through calcination for tissue engineering","authors":"D. Rajeshwari ,&nbsp;D. Swathi Rohitha ,&nbsp;A. Prasad ,&nbsp;Raghavendra Gujjala ,&nbsp;P. Venkateswara Rao ,&nbsp;Narayanan Madaboosi ,&nbsp;Mutlu Özcan ,&nbsp;P. Syam Prasad","doi":"10.1016/j.inoche.2025.115554","DOIUrl":"10.1016/j.inoche.2025.115554","url":null,"abstract":"<div><div>Borate bioactive glasses (BBGs) and glass ceramics are emerging biomaterials with enormous applications in repairing damaged tissues, owing to their controlled degradation, antimicrobial properties, and ability to promote tissue regeneration. In this work, BBG with composition B<sub>2</sub>O<sub>3</sub>-CaO-Li<sub>2</sub>O-P<sub>2</sub>O<sub>5</sub> was produced using the sol-gel technique and subsequently calcinated at temperatures of 600, 650, 700, 750, and 800 °C. A range of characterization techniques was employed to assess the impact of calcination temperature on the structural and biological responses of the glasses. BET analysis confirmed their mesoporous texture and observed the change in pore diameter with calcination temperatures, which is perfect for prolonged ion release and cell contact. Further, the structural modification with temperature and in vitro bioactivity, evidenced by hydroxyapatite (HAp) deposition on the material's surface, was verified by XRD, FTIR, and FESEM analysis. A dense and enhanced HAp layer was deposited with an immersion period in SBF, and it predominantly covers the crystalline phases CaB<sub>2</sub>O<sub>4,</sub> Li₂B₄O₇, and Ca₃(PO₄)₂ at 750 and 800 °C. This ability validated the glasses bioactivity and demonstrated their capacity to promote tissue regeneration. Moreover, the hemocompatibility experiments revealed that all BBGs were biocompatible, with no hemolytic effects and a lysis rate of below 5 %. The cell viability assays by culturing the cells with MG-63 osteoblast cells demonstrated superior cytocompatibility, non-toxic behavior, and increased cell proliferation. Over all these results demonstrate the promise of BBGs as useful materials for applications involving soft and hard tissue engineering.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115554"},"PeriodicalIF":5.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216353","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}
引用次数: 0
Synthesis and characterization of novel silver vanadate nanofibers and consideration of the effects on MCF-7 and HDF cell line 新型钒酸银纳米纤维的合成、表征及对MCF-7和HDF细胞系的影响
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-25 DOI: 10.1016/j.inoche.2025.115576
Sareh Sarhangi , Mehrdad Hashemi , Hakimeh Ziyadi
{"title":"Synthesis and characterization of novel silver vanadate nanofibers and consideration of the effects on MCF-7 and HDF cell line","authors":"Sareh Sarhangi ,&nbsp;Mehrdad Hashemi ,&nbsp;Hakimeh Ziyadi","doi":"10.1016/j.inoche.2025.115576","DOIUrl":"10.1016/j.inoche.2025.115576","url":null,"abstract":"<div><div>With the aim of introducing novel anticancer ceramic nanofibers, silver vanadate (AgVO<sub>3</sub>) nanofibers were successfully created by electrospinning and calcination in the search for novel anticancer ceramic nanofibers. Originally, a homogenous solution including silver nitrate, ammonium metavanadate, and poly vinyl alcohol was electrosppined to create composite polymer nanofibers. Silver vanadate ceramic nanofibers were created by calcining these composite nanofibers thereafter. Field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDAX), elemental mapping analysis (EMPA), Fourier transform infrared spectroscopy (FT-IR), and X-ray powder diffraction (XRD) were used to characterize the produced nanofibers.</div><div>The analysis verified that composite nanofibers with a smooth surface and homogeneous shape had been successfully electrosppined. The precursor was annealed at 300 °C for three hours, resulting in well-crystallized fiber-like morphology in the ceramic nanostructures, which had diameters ranging from 40 to 120 nm. By using elemental mapping analysis and EDAX, the presence of <em>V</em>, O, and Ag elements was confirmed. Diffraction peaks consistent with silver vanadate's monoclinic crystal structure were found by XRD investigation.</div><div>The MTT assay results showed that silver vanadate nanofibers exhibited a time-dependent cytotoxic effect on MCF-7 cells with IC50 values of 28.2 μM (24 h), 10.82 μM (48 h), and 4.906 μM (72 h). In contrast, higher IC50 values were observed in HDF cells, including 569.5 μM (24 h), 181.5 μM (48 h), and 153.2 μM (72 h), indicating a favorable selectivity toward cancer cells. These findings offer new insights into the potential application of ceramic nanofibers for targeted cancer therapy.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115576"},"PeriodicalIF":5.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216359","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}
引用次数: 0
Synergistic effect of nitrogen-vacancy generation and S-doping within g-C3N4: S-scheme homojunction photocatalysts for effectual NH3 production upon simulated solar light g-C3N4: s方案均结光催化剂中氮空位生成和s掺杂对模拟太阳光照下NH3有效生成的协同效应
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-25 DOI: 10.1016/j.inoche.2025.115566
Elham Vesali-Kermani , Aziz Habibi-Yangjeh , Alireza Khataee
{"title":"Synergistic effect of nitrogen-vacancy generation and S-doping within g-C3N4: S-scheme homojunction photocatalysts for effectual NH3 production upon simulated solar light","authors":"Elham Vesali-Kermani ,&nbsp;Aziz Habibi-Yangjeh ,&nbsp;Alireza Khataee","doi":"10.1016/j.inoche.2025.115566","DOIUrl":"10.1016/j.inoche.2025.115566","url":null,"abstract":"<div><div>The photocatalytic production of ammonia from air nitrogen and water is green and sustainable, because the primary resources are available and abundant. In the present research, binary nitrogen-vacancy-rich g-C<sub>3</sub>N<sub>4</sub>/S-doped g-C<sub>3</sub>N<sub>4</sub> (abbreviated as NvrGCN/S-GCN) nanocomposites were synthesized by an easy method and employed for N<sub>2</sub> photofixation reaction. The amount of ammonia produced by the optimum NvrGCN/S-GCN nanocomposite was 31,824 μmol/L.g, which was almost 62, 3.2, and 3.3 times more than GCN, NvrGCN, and S-GCN photocatalysts, respectively. The S-type homojunction formed between NvrGCN and S-GCN counterparts is responsible for the promoted surface area, prolonged life for charge carriers, and less resistance for charge migration, which altogether collaborated in the improvement of nitrogen photofixation reaction toward ammonia production. To gain more insights about the reaction mechanism, the effects of light, water, air, solution pH, electrons, and protons on the ammonia production rate were explored. Furthermore, the amount of nitrate, nitrite, and hydrazine produced in the reaction media was assayed. The results of this research provides a straightforward procedure for fabrication of homojunction photocatalysts for ammonia production from nitrogen gas and water.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115566"},"PeriodicalIF":5.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229877","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}
引用次数: 0
Synthesis, spectral characterization, Z-scan and NLO detection sensitivity and applications of various DFT calculation methods on a new Zn(II) complex 一种新型Zn(II)配合物的合成、光谱表征、z扫描和NLO检测灵敏度及各种DFT计算方法的应用
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-24 DOI: 10.1016/j.inoche.2025.115555
Merve Şimşek , Davut Avcı , Fatih Sönmez , Ömer Tamer , Adil Başoğlu , Yusuf Atalay
{"title":"Synthesis, spectral characterization, Z-scan and NLO detection sensitivity and applications of various DFT calculation methods on a new Zn(II) complex","authors":"Merve Şimşek ,&nbsp;Davut Avcı ,&nbsp;Fatih Sönmez ,&nbsp;Ömer Tamer ,&nbsp;Adil Başoğlu ,&nbsp;Yusuf Atalay","doi":"10.1016/j.inoche.2025.115555","DOIUrl":"10.1016/j.inoche.2025.115555","url":null,"abstract":"<div><div>The synthesized Zn(II) complex of 3−/6-methylpicolinic acid (3−/6-MepicH) was structurally characterized by mass spectrometry (MS) as well as <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. The spectral features were investigated by the FTIR and UV–Vis spectra. To elucidate third−order nonlinear optical (NLO) characteristic, <em>Z</em>-scan study was fulfilled. Theoretical characterizations were carried out using different featured DFT methods. Moreover, the values of external electric field (<em>E</em>), polarization (<em>P</em>), and electric displacement (<em>D</em>) for the Zn(II) complex were computed employing DFT/M06-L, CAM-B3LYP, and HSEh1PBE functionals. Similarly, the linear optical (LO) susceptibility and polarization parameters <em>χ</em><sup><em>(1)</em></sup><em>/P</em><sup>(1)</sup> as well as the second- and third-order nonlinear optical (NLO) tensors <em>χ</em><sup><em>(2)</em></sup><em>/P</em><sup><em>(2)</em></sup> and <em>χ</em><sup><em>(3)</em></sup><em>/P</em><sup>(3)</sup> were derived at the same computational levels. Furthermore, the refractive index (n) and optical band gap were determined within the UV–Vis spectrum. Subsequently, the Zn(II) complex's static and dynamic LO and NLO properties were examined at the DFT/M06-L, CAM-B3LYP, and HSEh1PBE levels. The electronic band gap (<em>E</em><sub>g</sub>), dipole moment and polarizability values were obtained at 4.37 eV (experimental) and 4.777 eV (DFT/M06-L), 8.009 D (DFT/M06-L), &lt;<em>α(0,0)</em>&gt; 43.134 × 10<sup>−24</sup> esu and <em>&lt;</em><em>α(</em>−<em>ω;ω)</em><em>&gt;</em> 38.954 × 10<sup>−24</sup> esu, respectively. From the <em>Z</em>-scan experiments, the complex exhibited a third-order nonlinear optical susceptibility (<em>χ</em><sup><em>(3)</em></sup>) of 62.5068 × 10<sup>−4</sup> and a second-order molecular hyperpolarizability (<em>γ</em>) of −6532.41 × 10<sup>−28</sup> esu. Using the DFT/M06-L method, the values of <em>&lt;γ(0,0,0,0)&gt;/&lt;γ(−ω;ω,0,0)&gt;</em> and &lt;γ(<em>−</em>2ω;ω,ω,0) &gt; third-order nonlinear optical susceptibilities of the complex in ethanol were determined as 70.427 × 10<sup>−36</sup>, 94.085 × 10<sup>−36</sup> and 2599.27 × 10<sup>−36</sup> esu, respectively. The significant nonlinear optical responses from <em>Z</em>-scan measurements and DFT-based calculations reveal that the compound exhibits promising characteristics for advanced optical sensing applications, including intensity-dependent detectors and environmentally responsive phase-modulating sensors.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115555"},"PeriodicalIF":5.4,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216478","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}
引用次数: 0
Synthesis and functionalization of 2D Ti3C2Tx layered MXenes: assessment of toxicological interventions in triple negative breast cancer 二维Ti3C2Tx层状MXenes的合成和功能化:三阴性乳腺癌毒理学干预评估
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-24 DOI: 10.1016/j.inoche.2025.115571
Dilip L. Pawara, Rahul S. Tade
{"title":"Synthesis and functionalization of 2D Ti3C2Tx layered MXenes: assessment of toxicological interventions in triple negative breast cancer","authors":"Dilip L. Pawara,&nbsp;Rahul S. Tade","doi":"10.1016/j.inoche.2025.115571","DOIUrl":"10.1016/j.inoche.2025.115571","url":null,"abstract":"<div><div>Cancer remains a serious and life-threatening disease despite advancements in therapy and drug delivery systems. In this context, nanomaterials have emerged as a promising alternative for targeted cancer therapies. Among these, Ti₃C₂Tₓ (MXenes), a class of two-dimensional (2D) nanomaterials, exhibit unique properties such as high surface area, excellent hydrophilicity, and versatile surface chemistry, making them highly promising for biomedical applications. This study presents a modified synthesis method for MXenes using potassium fluoride (KF) and hydrochloric acid (HCl), thereby eliminating hazardous hydrofluoric acid (HF) and improving safety and sustainability. The resulting MXenes were further functionalized with aspartic acid (Asp-MXenes) via hydrothermal treatment to enhance their surface functionality and biological interaction. Instrumental assessments confirmed successful functionalization, reflected by changes in particle size, surface charge and optical properties. In-vitro studies showed that significantly enhanced cytotoxicity of Asp-MXenes against MDA-MB-231 breast cancer cells compared to unmodified MXene. Confocal microscopy revealed improved cellular uptake of Asp-MXenes, correlating with their improved cytotoxicity.</div><div>Apoptosis analysis indicated a greater apoptotic population following treatment with Asp-MXenes, while Reactive oxygen species (ROS) analysis showed elevated ROS levels in treated cells, supporting a ROS-mediated mechanism of apoptosis. These preliminary findings suggest that Asp-MXenes may exhibit enhanced cellular uptake and induce ROS-mediated apoptosis in cancer cells, indicating their promise as potential anticancer agents. This study underscores the role of surface functionalization in improving MXenes bioactivity and supports eco-friendly synthesis for biomedical applications. In summary, the study serves as a fundamental aspects of the theranostic development in biomedical applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115571"},"PeriodicalIF":5.4,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216329","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}
引用次数: 0
Intercalated CNT networks enable high-kinetic NH4V4O10 cathodes with long-term stability in aqueous zinc-ion batteries 插层碳纳米管网络使高动力学NH4V4O10阴极在水锌离子电池中具有长期稳定性
IF 5.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-09-24 DOI: 10.1016/j.inoche.2025.115564
Taosen Li, Chuanyang Li, Jie Hu, Li Zhang, Zhongcheng Song, Wutao Mao, Keyan Bao
{"title":"Intercalated CNT networks enable high-kinetic NH4V4O10 cathodes with long-term stability in aqueous zinc-ion batteries","authors":"Taosen Li,&nbsp;Chuanyang Li,&nbsp;Jie Hu,&nbsp;Li Zhang,&nbsp;Zhongcheng Song,&nbsp;Wutao Mao,&nbsp;Keyan Bao","doi":"10.1016/j.inoche.2025.115564","DOIUrl":"10.1016/j.inoche.2025.115564","url":null,"abstract":"<div><div>Aqueous zinc-ion batteries (AZIBs) represent a promising technology for large-scale energy storage due to their inherent safety, low cost, and environmental benefits. However, cathode dissolution and limited conductivity hinder their practical deployment. To address these challenges, this study successfully synthesized a composite cathode material consisting of NH<sub>4</sub>V<sub>4</sub>O<sub>10</sub> nanosheets integrated with carbon nanotubes (CNTs) – denoted as NH<sub>4</sub>V<sub>4</sub>O<sub>10</sub>/CNTs – via a hydrothermal synthesis technique. Physical characterization revealed the uniform distribution of CNTs within the NH<sub>4</sub>V<sub>4</sub>O<sub>10</sub> interlayers, establishing a three-dimensional conductive framework that significantly enhances electron transport. Electrochemical evaluation demonstrated that the composite delivered a specific discharge capacity of 489.1 mAh g<sup>−1</sup> at 0.1 A g<sup>−1</sup>. After subsequent cycling at higher rates and returning to 0.1 A g<sup>−1</sup>, the capacity recovered to 435.3 mAh g<sup>−1</sup>. The composite's rate capability substantially outperformed its pure-phase counterparts. Furthermore, at a high current density of 10 A g<sup>−1</sup>, the composite maintained 85% of its capacity (157.5 mAh g<sup>−1</sup>) after 4000 cycles. Kinetic analysis indicated a dominant pseudocapacitive contribution of 79.3% at a scan rate of 1.0 mV s<sup>−1</sup>. These results collectively demonstrate that the NH<sub>4</sub>V<sub>4</sub>O<sub>10</sub>/CNTs composite exhibits both rapid charge/discharge kinetics and long-term cycling stability, offering a viable approach for developing high-performance cathodes in AZIBs.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"182 ","pages":"Article 115564"},"PeriodicalIF":5.4,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216474","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}
引用次数: 0
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