Inorganic Chemistry Communications最新文献

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Syntheses, structures and properties of two co-crystallized complexes constructed from lanthanide isonicotinates and mercury halides 异烟酸镧系和卤化汞共晶配合物的合成、结构和性质
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-31 DOI: 10.1016/j.inoche.2025.114786
Xi-Yu Shao, Hao-Dong Liu, Long-Hua Zeng, Wei Wang, Chang-Wang Pan, Cheng Liu, Wen-Tong Chen
{"title":"Syntheses, structures and properties of two co-crystallized complexes constructed from lanthanide isonicotinates and mercury halides","authors":"Xi-Yu Shao,&nbsp;Hao-Dong Liu,&nbsp;Long-Hua Zeng,&nbsp;Wei Wang,&nbsp;Chang-Wang Pan,&nbsp;Cheng Liu,&nbsp;Wen-Tong Chen","doi":"10.1016/j.inoche.2025.114786","DOIUrl":"10.1016/j.inoche.2025.114786","url":null,"abstract":"<div><div>Two novel co-crystallized complexes with distinct extended structures, namely, {[Pr<sub>2</sub>(HIA)<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>]<em><sub>n</sub></em>}(<em>n</em>HgBr<sub>2</sub>)(2<em>n</em>Hg<sub>4</sub>Br<sub>11</sub>)<em>·</em>2<em>n</em>H<sub>2</sub>O (<strong>1</strong>) (where HIA represents isonicotinic acid) and {[Dy(IA)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>2</sub>Hg<sub>5</sub>Cl<sub>12</sub>}<em><sub>n</sub>n</em>(HgCl<sub>2</sub>)·4<em>n</em>H<sub>3</sub>O·2<em>n</em>NO<sub>3</sub> (<strong>2</strong>), were synthesized through a solvothermal reaction and characterized by single-crystal X-ray diffraction. Complex <strong>1</strong> is characterized as a one-dimensional (1-D) chain-like structure, whereas complex <strong>2</strong> has a two-dimensional (2-D) layer-like structure. The lanthanide metals in both complexes <strong>1</strong> and <strong>2</strong> exhibit an eight-coordination square antiprism motif, while the mercury display diverse coordination geometries. Complex <strong>1</strong> shows blue photoluminescence emissions, and complex <strong>2</strong> demonstrates green photoluminescence emissions. The photoluminescence emissions arise from the characteristic emission of the 4<em>f</em> electron intrashell transition of the <sup>3</sup><em>P</em><sub>1</sub> → <sup>3</sup><em>H</em><sub>4</sub> and <sup>3</sup><em>P</em><sub>0</sub> → <sup>3</sup><em>H</em><sub>4</sub> of the Pr<sup>3+</sup> ion in complex <strong>1</strong> and the <sup>4</sup><em>F</em><sub>9/2</sub> → <sup>6</sup><em>H</em><sub>15/2</sub> and <sup>4</sup><em>F</em><sub>9/2</sub> → <sup>6</sup><em>H</em><sub>13/2</sub> of the Dy<sup>3+</sup> ions in complex <strong>2</strong>. Complex <strong>1</strong> possesses CIE (Commission Internationale de I’Éclairage) chromaticity coordinates (0.1091, 0.1332), and the CCT (correlated color temperature) is 7980 K. Complex <strong>2</strong> has CIE (Commission Internationale de I’Éclairage) chromaticity coordinates (0.3150, 0.4587), and the CCT (correlated color temperature) is 5956 K. The solid-state UV/Vis diffuse reflectance spectra indicate that the semiconductor band gaps are 3.18(3) eV and 4.98(1) eV respectively.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114786"},"PeriodicalIF":4.4,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203379","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, structure and fluorescence properties of two Cd (II) complexes based on nitrogen heterocyclic ligands 两种氮杂环配体Cd (II)配合物的合成、结构和荧光性质
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-30 DOI: 10.1016/j.inoche.2025.114778
Wei Liu , Xiangyang Li , Wei Yao , Vladimir P. Fedin , Enjun Gao
{"title":"Synthesis, structure and fluorescence properties of two Cd (II) complexes based on nitrogen heterocyclic ligands","authors":"Wei Liu ,&nbsp;Xiangyang Li ,&nbsp;Wei Yao ,&nbsp;Vladimir P. Fedin ,&nbsp;Enjun Gao","doi":"10.1016/j.inoche.2025.114778","DOIUrl":"10.1016/j.inoche.2025.114778","url":null,"abstract":"<div><div>Two Cd-based complexes {complex<strong>1</strong>=Cd<sub>2</sub>(L<sub>1</sub>)<sub>2.5</sub>(NO<sub>3</sub>)<sub>4</sub> and complex<strong>2</strong>=Cd(HL<sub>2</sub>)} were synthesized with two nitrogen-containing ligands L<sub>1</sub> and H<sub>3</sub>L<sub>2</sub> (L<sub>1</sub> = 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl and H<sub>3</sub>L<sub>2</sub> = 4-(6-Carboxy-pyridin-3-yl)-isophthalic acid). Both complexes are monoclinic crystal system with <em>P</em>2<sub>1</sub>/c space group, and have good stability. In view of their good stability, complex <strong>1</strong> and complex <strong>2</strong> were employed for fluorescence sensing of amino acids and antibiotics, respectively. Complex <strong>1</strong> can identify tryptophan (Trp) from common amino acids with LOD = 1.72 μM, and complex <strong>2</strong> can identify chlortetracycline (CTE) and oxytetracycline (OXY) from antibiotics with LOD = 0.89 μM and 2.89 μM, respectively. Both complexes exhibit superior anti-interference capabilities, excellent recyclability, and rapid response characteristics. The sensing mechanism of the two complexes on the analytes was also analyzed and explained.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114778"},"PeriodicalIF":4.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144184260","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 Review on: Composing Magnetic Sensors with Nanoferrites 纳米铁氧体组成磁传感器的研究进展
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-30 DOI: 10.1016/j.inoche.2025.114764
T. Lakshmana Rao , CH.V.V. Ramana , N. Thirupathi Rao , Santhosh Kumar Alla , Sabu Thomas , Seepana Praveenkumar
{"title":"A Review on: Composing Magnetic Sensors with Nanoferrites","authors":"T. Lakshmana Rao ,&nbsp;CH.V.V. Ramana ,&nbsp;N. Thirupathi Rao ,&nbsp;Santhosh Kumar Alla ,&nbsp;Sabu Thomas ,&nbsp;Seepana Praveenkumar","doi":"10.1016/j.inoche.2025.114764","DOIUrl":"10.1016/j.inoche.2025.114764","url":null,"abstract":"<div><div>Magnetic sensors have attracted a lot of attention because of their sensitivity, stability, and reaction to a variety of environmental circumstances. They are crucial for a variety of applications, including biomedical devices, automotive, and aerospace. Magnetic sensors (viz. manganese-zinc (MnZn) ferrites) used as Giant Magnetoresistance (GMR), Fluxgate and Piezoelectric sensors. The size, morphology and composition variation of the ferrites manifest the important properties and these ferrites sensors utilized for Medical Imaging and Biosensing, Industrial Automation, Consumer Electronics, Military and Aerospace and Environmental and Geological Studies. Because of their high magnetic permeability, low magnetic losses, and superparamagnetism, nanoferrites like cobalt, nickel, and zinc ferrites are appropriate for high-sensitivity sensor applications. In the fabrication methods, sol–gel and hydrothermal technique are used to generate nanoferrite particles, which are then stored onto substrates exploring spin coating, CVD (chemical vapour deposition) and spray pyrolysis. The findings imply that magnetic sensors based on nanoferrite can be a cost-effective and efficient replacement for usual sensors, sacrifice evolved durability and sensitivity. The foundation for future promotions in the field of nanotechnology-driven sensor design is situated by this review paper, which gives understanding into the fabrication methods, material characteristics, and real-world uses of nanoferrite-based sensors.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114764"},"PeriodicalIF":4.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213472","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
Pressure effect on structural, electronic, and mechanical properties of Na3OX (X = Cl, Br, I) solid electrolytes: DFT study 压力对Na3OX (X = Cl, Br, I)固体电解质结构、电子和力学性能的影响:DFT研究
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-30 DOI: 10.1016/j.inoche.2025.114769
Abdelhak Chouiekh , Mohammed Lazrak , Nour El Hoda Bouftila , Rachid Zigdi , Abdellah Tahiri , Mohamed Naji
{"title":"Pressure effect on structural, electronic, and mechanical properties of Na3OX (X = Cl, Br, I) solid electrolytes: DFT study","authors":"Abdelhak Chouiekh ,&nbsp;Mohammed Lazrak ,&nbsp;Nour El Hoda Bouftila ,&nbsp;Rachid Zigdi ,&nbsp;Abdellah Tahiri ,&nbsp;Mohamed Naji","doi":"10.1016/j.inoche.2025.114769","DOIUrl":"10.1016/j.inoche.2025.114769","url":null,"abstract":"<div><div>The next generation of batteries is expected to use solid electrolytes due to their excellent energy density, safety and stability characteristics. Sodium anti-perovskites are a family of ionic conductors, offering advantages such as high mechanical flexibility and high ionic conductivity. Here, we have used the density functional theory to investigate the structural, electronic, and mechanical properties of solid electrolytes Na<sub>3</sub>OX (X = Cl, Br, I) anti-perovskite under static pressure from 0 to 8 GPa. The results show that Na<sub>3</sub>OCl, Na<sub>3</sub>OBr and Na<sub>3</sub>OI have a direct band gap of 2.339, 1.892 and 2.033 eV, respectively, which increases with pressure, and the Na<sub>3</sub>OCl compound exhibiting the lowest energy of formation (E<sub>f</sub> = −1.458 eV at 0 GPa), indicating that it is thermodynamically the most stable. The incorporation of a halogen with a larger radius result in an increase in the lattice parameter <em>a</em>. In addition, according to mechanical property calculations, anti-perovskite materials are mechanically stable and become harder, more ductile and more anisotropic as pressure increases. Furthermore, Na<sub>3</sub>OCl exhibits greater resistance to plastic deformation.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114769"},"PeriodicalIF":4.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203376","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 of three new complexes based on the regulation of different transition metals Zn/Cd/Cu with nitrogen-containing carboxylic acid ligand and the fluorescence detection of Fe(III)/Cr(VI) ions 基于含氮羧酸配体对不同过渡金属Zn/Cd/Cu的调控及Fe(III)/Cr(VI)离子荧光检测的三种新型配合物的合成
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-30 DOI: 10.1016/j.inoche.2025.114765
Li-Na Zheng , Yun-Zhuo Sun , Shuai Liu , Wen-Ya Li , Ning Xue , Tao Ding
{"title":"Synthesis of three new complexes based on the regulation of different transition metals Zn/Cd/Cu with nitrogen-containing carboxylic acid ligand and the fluorescence detection of Fe(III)/Cr(VI) ions","authors":"Li-Na Zheng ,&nbsp;Yun-Zhuo Sun ,&nbsp;Shuai Liu ,&nbsp;Wen-Ya Li ,&nbsp;Ning Xue ,&nbsp;Tao Ding","doi":"10.1016/j.inoche.2025.114765","DOIUrl":"10.1016/j.inoche.2025.114765","url":null,"abstract":"<div><div>Through hydrothermal/solvothermal reactions, three Complexes with new structures were successfully synthesized using 1-(4-carboxyphenyl)-3-(pyrazinyl)-H-1,2,4-triazole (HL) as the organic ligand mixed with specific solvents. These include two zero-dimensional (0D) Complexes ([Cd<sub>2</sub>(L)<sub>4</sub>(H<sub>2</sub>O)<sub>6</sub>]·11H<sub>2</sub>O, Cd-CP) and [ZnL<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], as well as a two-dimensional (2D) Complex ([Cu<sub>3</sub>(L)<sub>2</sub>(CN)]<em><sub>n</sub></em>·2nH<sub>2</sub>O, Cu-CP). X-ray single-crystal diffraction analysis, infrared spectroscopy, and thermogravimetric analysis demonstrated that Cd-CP, Zn-CP, and Cu-CP all exhibit stable framework structures and excellent thermal stability. Moreover, the Cd-CP sensor achieves rapid (&lt;5 min) multiplex detection of Fe<sup>3+</sup>/CrO<sub>4</sub><sup>2−</sup>/Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> in water, leveraging synergistic weak interaction-guided recognition, resonance energy transfer (RET), inner filter effect (IFE) and CA-driven ion discrimination. When the concentrations of Fe<sup>3+</sup>, CrO<sub>4</sub><sup>2−</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> reached 200 μL, 600 μL and 280 μL respectively, the fluorescence intensity of Cd-CP was completely quenched. The detection limits of the three ions were 5.83 × 10<sup>−4</sup> M (Fe<sup>3+</sup>), 6.92 × 10<sup>−4</sup> M (CrO<sub>4</sub><sup>2−</sup>) and 6.56 × 10<sup>−4</sup> M (Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup>) respectively, and <em>K<sub>sv</sub></em> values of 8.13 × 10<sup>3</sup> M<sup>−1</sup> (Fe<sup>3+</sup>), 2.55 × 10<sup>3</sup> M<sup>−1</sup> (CrO<sub>4</sub><sup>2−</sup>) and 5.58 × 10<sup>3</sup> M<sup>−1</sup> (Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup>), respectively. The sensor maintained exceptional ion-discrimination accuracy with persistent signal stability against competing ionic species in aqueous media, demonstrating dual resistance to both cationic and anionic interference. Additionally, cycling experiments indicated that the complexes can be reused in the sensing assays.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114765"},"PeriodicalIF":4.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203378","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
N-doped zeolite-templated carbons confinement of Pt nanoparticles as low-loading oxygen reduction reaction electrocatalysts n掺杂沸石模板碳约束Pt纳米颗粒作为低负荷氧还原反应电催化剂
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-29 DOI: 10.1016/j.inoche.2025.114757
Tianfu Wang , Nan Li , Minghui Chu, Zhuoxi Li, Yingying Liu, Yichun Cai, Xiaoming Yu, Yi Zhan, Tongwen Yu
{"title":"N-doped zeolite-templated carbons confinement of Pt nanoparticles as low-loading oxygen reduction reaction electrocatalysts","authors":"Tianfu Wang ,&nbsp;Nan Li ,&nbsp;Minghui Chu,&nbsp;Zhuoxi Li,&nbsp;Yingying Liu,&nbsp;Yichun Cai,&nbsp;Xiaoming Yu,&nbsp;Yi Zhan,&nbsp;Tongwen Yu","doi":"10.1016/j.inoche.2025.114757","DOIUrl":"10.1016/j.inoche.2025.114757","url":null,"abstract":"<div><div>Nitrogen-doped carbon confined low-loading noble metal electrocatalysts with excellent performance of oxygen reduction reaction (ORR) has attracted great interests. Herein, we report the synthesis of nitrogen-doped zeolite-templated carbon-confined Pt nanoparticles with low-loading toward ORR. The zeolite templates, such as P, A, and Y type, were systematically adjusted to optimize the microstructure of electrocatalysts. Furthermore, the nitrogen-doping sources, including the urea and NH<sub>3</sub> were also investigated. The optimized electrocatalyst with Pt loading of only 0.97 % exhibited a half-wave potential of 0.855 V and an excellent stability with 42 mV degradation after 20,000 cycles. This work offers an efficient N-doping and low Pt loading strategy for the zeolite-templated carbon confinement-based low-cost ORR electrocatalysts.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114757"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213351","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
Microwave-assisted continuous-flow preparation of magnetic composite MgFe2O4/UU-200 as efficient photocatalytic aqueous pollutant remediation 微波辅助连续流制备磁性复合材料MgFe2O4/UU-200作为光催化水中污染物的高效修复
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-29 DOI: 10.1016/j.inoche.2025.114750
The Ky Vo , Thi Long Do , Thiet Hung Le , Bui Van Vi
{"title":"Microwave-assisted continuous-flow preparation of magnetic composite MgFe2O4/UU-200 as efficient photocatalytic aqueous pollutant remediation","authors":"The Ky Vo ,&nbsp;Thi Long Do ,&nbsp;Thiet Hung Le ,&nbsp;Bui Van Vi","doi":"10.1016/j.inoche.2025.114750","DOIUrl":"10.1016/j.inoche.2025.114750","url":null,"abstract":"<div><div>Current research aims to engineer sustainable and efficient materials for photocatalysis, which is still challenging in the industry. Magnesium ferrite (MgFe<sub>2</sub>O<sub>4</sub>) was incorporated into UU-200 frameworks under microwave-aided continuous flow, scalably producing hybrid MgFe<sub>2</sub>O<sub>4</sub>/UU-200 materials at 120 °C and within 10 min. The reaction yield reached approximately ∼74.5 %, and the production rate was ∼3.09 g/h. The nanocrystallites of MgFe<sub>2</sub>O<sub>4</sub> were effectively incorporated into UU-200 frameworks during the reaction between Bi<sup>3+</sup> ions and ligands, resulting in heterostructures with enhanced visible light absorption and magnetic properties. Under visible light irradiation, the sample prepared with a Bi<sup>3+</sup>/MgFe<sub>2</sub>O<sub>4</sub> molar ratio of 2 exhibited the optimum photocatalytic removal efficiencies of ∼93 % for Cr<sup>6+</sup> and ∼87% for Rhodamine B (RhB) from aqueous solutions, giving the highest photoreduction rates of 0.0124 min<sup>−1</sup> and 0.0093 min<sup>−1</sup>, respectively. In addition, simultaneous decolourisation tests demonstrated that these structures effectively removed pollutants from the binary solution. The analyses revealed that photoinduced electrons photocatalytically reduced Cr<sup>6+</sup> to Cr<sup>3+</sup>, while h<sup>+</sup> and <sup><img></sup>OH radicals predominantly drove the dye degradation. Notably, the produced MgFe<sub>2</sub>O<sub>4</sub>/UU-200 was rapidly isolated from the suspension solution using a magnet, thereby reducing its loss into the environment. The study presents an effective strategy for the scalable production of magnetic and visible-light-active MgFe<sub>2</sub>O<sub>4</sub>/UU-200 catalysts for photocatalytic water decontamination.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114750"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223212","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
Machine learning-guided photocatalytic degradation of Eriochrome Black T using green Nb2O5-NPs@CeO2-NPs 机器学习引导下绿色光催化降解铬黑T Nb2O5-NPs@CeO2-NPs
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-29 DOI: 10.1016/j.inoche.2025.114779
Adriano Losekann Mota Nunes , Leandro Rodrigues Oviedo , Maurício Dalla Costa Rodrigues da Silva , Cristiane dos Santos , Giovani Pavoski , Denise Crocce Romano Espinosa , William Leonardo da Silva
{"title":"Machine learning-guided photocatalytic degradation of Eriochrome Black T using green Nb2O5-NPs@CeO2-NPs","authors":"Adriano Losekann Mota Nunes ,&nbsp;Leandro Rodrigues Oviedo ,&nbsp;Maurício Dalla Costa Rodrigues da Silva ,&nbsp;Cristiane dos Santos ,&nbsp;Giovani Pavoski ,&nbsp;Denise Crocce Romano Espinosa ,&nbsp;William Leonardo da Silva","doi":"10.1016/j.inoche.2025.114779","DOIUrl":"10.1016/j.inoche.2025.114779","url":null,"abstract":"<div><div>This study aims to synthesize a green niobium-based catalyst doped with cerium oxide nanoparticles (Nb<sub>2</sub>O<sub>5</sub>-NPs@CeO<sub>2</sub>-NPs) for Eriochrome Black T (EBT) dye degradation under visible radiation and to propose a degradation reaction pathway by machine learning. Nb<sub>2</sub>O<sub>5</sub>-NPs@CeO<sub>2</sub>-NPs were characterized by X-Ray diffraction analysis (XRD), zero-charge point (pH<sub>ZCP</sub>)<sub>,</sub> Field Emission Gun Scanning Electron Microscopy (FEG-SEM) coupled with Energy Dispersive Spectroscopy (EDS), Diffuse reflectance spectroscopy (DRS), N<sub>2</sub> porosimetry and zeta potential (ZP). The algorithms Decision tree (DT), Random Forest (RF), and Extreme Gradient Boosting (XGBoost) were used to identify the main degradation products of EBT degradation. The incorporation of CeO<sub>2</sub>-NPs onto the Nb<sub>2</sub>O<sub>5</sub>-NPs reduced the band gap from 2.89 to 2.44 eV, resulting in a stable nanocatalyst (ZP = −22.7 mV). Similarly, S<sub>BET</sub> increased from 19 to 102 m<sup>2</sup> g<sup>−1</sup>, and D<sub>p</sub> from 8.5 to 9.25 nm. However, V<sub>p</sub> reduced from 0.04 to 0.2 cm<sup>3</sup> g<sup>−1</sup>. Nb<sub>2</sub>O<sub>5</sub>-NPs@CeO<sub>2</sub>-NPs showed pH<sub>ZCP</sub> 6.54, which justifies the higher EBT degradation in the photocatalytic assay (pH 5), probably due to higher electrostatic interactions. Moreover, 68 % EBT degradation (<em>k</em> = 0.0101 min<sup>−1</sup>) was achieved after 120 min, with good photocatalytic activity up to 3 cycles. O<sub>2</sub><sup>–<img></sup> and h<sup>+</sup> showed a key role in the EBT degradation reaction. RF algorithm showed the best performance among the ML algorithms (R<sup>2</sup><sub>training</sub> = 0.9539 and R<sup>2</sup><sub>test</sub> = 0.8364) and lower RMSE (RMSE<sub>training</sub> = 25.46 and RMSE<sub>test</sub> = 49.24). Therefore, the nanocatalyst is promising catalytic activity and machine learning is a useful tool for photocatalytic applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114779"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178330","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
New palladium (II) complexes of thiosemicarbazones: Synthesis, DNA and HSA binding and cytotoxicity activity studies 新型硫代氨基脲钯配合物:合成、DNA与HSA结合及细胞毒性活性研究
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-29 DOI: 10.1016/j.inoche.2025.114783
Songül Eğlence-Bakır , Eda Erdemir , Musa Şahin , Ivana Špaková , Romana Smolková , Lukáš Smolko
{"title":"New palladium (II) complexes of thiosemicarbazones: Synthesis, DNA and HSA binding and cytotoxicity activity studies","authors":"Songül Eğlence-Bakır ,&nbsp;Eda Erdemir ,&nbsp;Musa Şahin ,&nbsp;Ivana Špaková ,&nbsp;Romana Smolková ,&nbsp;Lukáš Smolko","doi":"10.1016/j.inoche.2025.114783","DOIUrl":"10.1016/j.inoche.2025.114783","url":null,"abstract":"<div><div>Four palladium(II) complexes (<strong>I–IV</strong>) were synthesized by the reaction of 5-substitute salicylidene (–OCH<sub>3</sub>, −Br, −Cl, –NO<sub>2</sub>)-N-isopropyl-S-propyl thiosemicarbazones (<strong>L<sup>I–IV</sup></strong>) with Li<sub>2</sub>[PdCl<sub>4</sub>] in ethanol. When 5-OCH<sub>3</sub>-N-isopropyl-S-propyl thiosemicarbazone (<strong>L<sup>I</sup></strong>) was used as ligand, a [Pd(<strong>L</strong>)Cl<sub>2</sub>] complex (complex <strong>I</strong>) was obtained. In this complex, thiosemicarbazone behaved as bidentate ligand and coordinated to the palladium center with N and S atoms. When other ligands, (−Br, −Cl and –NO<sub>2</sub> substituent; respectively <strong>L<sup>II</sup></strong>, <strong>L<sup>III</sup></strong> and <strong>L<sup>IV</sup></strong>) were used, complexes with the general formula [Pd(<strong>L</strong>)Cl] and in which thiosemicarbazones behaved tridentate (with O, N and S atoms) were obtained. The ligands and complexes were characterized by using analytical and spectroscopic methods. The molecular structure of complex <strong>I</strong> was also identified by single crystal X-ray diffraction method which revealed that the Pd(II) central atom was coordinated by thiosemicarbazone ligand through N and S donor atoms and two additional chlorido ligands. All ligands and complexes were subjected to DNA and albumin binding studies, and their antioxidant properties have been evaluated. Complex <strong>I</strong> and the corresponding ligand <strong>L<sup>I</sup></strong> as the most promising candidates have been selected for the cytotoxicity against the endometrial cancer cell line AN3CA.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114783"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223678","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
Cross-linked carbon tube-MnO2 composite enables high-performance Zn ion batteries 交联碳管-二氧化锰复合材料实现高性能锌离子电池
IF 4.4 3区 化学
Inorganic Chemistry Communications Pub Date : 2025-05-29 DOI: 10.1016/j.inoche.2025.114784
Guolong Lu , Doudou Qin , Yanhong Feng , Caiyun Wang , Shiming Qiu , Xijun Liu
{"title":"Cross-linked carbon tube-MnO2 composite enables high-performance Zn ion batteries","authors":"Guolong Lu ,&nbsp;Doudou Qin ,&nbsp;Yanhong Feng ,&nbsp;Caiyun Wang ,&nbsp;Shiming Qiu ,&nbsp;Xijun Liu","doi":"10.1016/j.inoche.2025.114784","DOIUrl":"10.1016/j.inoche.2025.114784","url":null,"abstract":"<div><div>Aqueous zinc-ion batteries (ZIBs) have emerged as promising energy storage devices due to their high safety, abundant, and environmental friendliness. However, the development of high-performance cathode materials remains a significant challenge. In this work, we report an accessible manganese (II) oxide coated carbon nanotube (MnO<sub>2</sub>/CNT) composite prepared via a facile ball milling method, which significantly enhances the electrochemical performance of ZIBs. The optimal MnO<sub>2</sub>/CNT composite exhibits a high specific capacity of 388.5 mAh g<sup>−1</sup> at 0.1 A g<sup>−1</sup>, and long-term cycling stability with 67.51 % capacity retention at 1 A g<sup>−1</sup> after 500 cycles. The improved performance is attributed to the enhanced electrical conductivity, optimized Zn<sup>2+</sup> diffusion kinetics, and stable structural integrity of the MnO<sub>2</sub>/CNT composite. This study provides a simple and scalable approach to designing high-performance cathode materials for next-generation ZIBs.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114784"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203381","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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