Inorganic Chemistry Frontiers最新文献

Molecular Architecture Controls DNA Supramolecular Organisation and Cellular Response in Terpyridine–NHC Gold(I) Complexes

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-10 DOI: 10.1039/d6qi02212j

Ane Alcalde-Barbier,María Gil-Moles,M. Concepción Gimeno

{"title":"Molecular Architecture Controls DNA Supramolecular Organisation and Cellular Response in Terpyridine–NHC Gold(I) Complexes","authors":"Ane Alcalde-Barbier,María Gil-Moles,M. Concepción Gimeno","doi":"10.1039/d6qi02212j","DOIUrl":"https://doi.org/10.1039/d6qi02212j","url":null,"abstract":"Controlling the higher-order organisation of DNA with discrete metal complexes remains largely unexplored in metallodrug design. Here, we develop terpyridine-functionalised N-heterocyclic carbene gold(I) complexes in which molecular architecture controls physicochemical properties, biological activity, and DNA supramolecular assembly. Systematic variation of the ancillary ligand produces marked differences in ligand-exchange behavior, lipophilicity, cellular uptake, cytotoxicity, and thioredoxin reductase (TrxR) inhibition. The alkynyl–NHC complex 3 and cationic bis(carbene) 5 are particularly striking, combining submicromolar antiproliferative activity with distinct cellular responses. Complex 3 induces a predominantly cytostatic phenotype with limited reactive oxygen species generation and TrxR inhibition, whereas 5 promotes apoptosis, pronounced oxidative stress, mitochondrial perturbation, and strong TrxR inhibition. Most notably, their interaction with DNA extends beyond conventional molecular recognition. Although both complexes display an intercalative component, circular dichroism, dynamic light scattering and atomic force microscopy reveal distinct higher-order DNA organisation where 3 promotes extended, film-like assemblies, whereas 5 induces concentration- and time-dependent DNA condensation and structural collapse. These findings establish a direct relationship between gold(I) molecular architecture and DNA supramolecular arrangement, demonstrating that discrete metal complexes can act as chemical regulators of biomolecular structure. The relationship between architecture, supramolecular organization and cellular response offers a new design principle for multifunctional metal-based drugs.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"19 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149374976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Functional-Group Conversion Directs Hard-Carbon Interphase Chemistry for Potassium-Ion Hybrid Capacitors

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-10 DOI: 10.1039/d6qi02121b

Chundi Liao,Wenda Qiu,Yan Xu,Wenhui Wang,Guoxian Li,Siran Liang,Guoquan Liao,Yaping Tao,Huajie Feng,Xihong Lu

{"title":"Functional-Group Conversion Directs Hard-Carbon Interphase Chemistry for Potassium-Ion Hybrid Capacitors","authors":"Chundi Liao,Wenda Qiu,Yan Xu,Wenhui Wang,Guoxian Li,Siran Liang,Guoquan Liao,Yaping Tao,Huajie Feng,Xihong Lu","doi":"10.1039/d6qi02121b","DOIUrl":"https://doi.org/10.1039/d6qi02121b","url":null,"abstract":"Potassium-ion hybrid capacitors could reconcile high energy density with rapid power delivery, but unstable interphase chemistry at hard-carbon anodes limits durable high-rate operation. Here we reconstruct the surface chemistry of hard carbon by converting reactive oxygen functionalities into an anion-anchoring Si-O-Si siloxane interphase, yielding reconstructed hard carbon (RHC). By altering the interphase-forming pathway in ester-based electrolytes, this conversion suggests an inorganic-organic composite solid-electrolyte interphase, decreases charge-transfer resistance, and enables sustained cycling. Moreover, complementary molecular dynamics simulations and density functional theory calculations corroborate this interfacial picture by showing increased FSI -accumulation near RHC and preferential interactions between FSI -and Si-containing surface functionalities. Consequently, the RHC electrode exhibits a reversible capacity of 294.3 mAh g -1 at 0.05 A g -1 while maintaining 82.4% of its reversible capacity over 2000 cycles at 2.0 A g -1 . A potassium-ion hybrid capacitor (PIHC) incorporating an RHC anode and an activated-carbon (AC) cathode delivered a maximum energy density of 153.5 Wh kg -1 , a peak power density of 10,500 W kg -1 , and 89.8% capacity retention after 10,000 cycles.Multiple analyses further reveal a coupled adsorption-intercalation mechanism for potassium storage. These results identify surface-functional-group conversion as an interphase-design strategy for reconciling fast charge storage with longterm durability in potassium-ion hybrid capacitors.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"10 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149374906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

External Field-Regulated Dynamic Responses of Crystalline Porous Materials for Low-Energy Carbon Capture

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-10 DOI: 10.1039/d6qi01946c

Zhengyi Cang,Gaobing Sheng,Jinglei Tian,Hongyu Zhao,Kaifei Chen,Wei Wei,Nannan Sun

{"title":"External Field-Regulated Dynamic Responses of Crystalline Porous Materials for Low-Energy Carbon Capture","authors":"Zhengyi Cang,Gaobing Sheng,Jinglei Tian,Hongyu Zhao,Kaifei Chen,Wei Wei,Nannan Sun","doi":"10.1039/d6qi01946c","DOIUrl":"https://doi.org/10.1039/d6qi01946c","url":null,"abstract":"Abstract: Crystalline porous materials, such as metal-organic frameworks and covalent organic frameworks, have attracted increasing attention for carbon capture owing to their tunable pore structures, diverse host-guest interactions, and stimulus-responsive properties. However, conventional regeneration relying on temperature or pressure swings suffers from high energy penalties and slow kinetics. To overcome these limitations, external field stimuli, namely light, electric fields, and magnetic fields, have emerged as a promising non-contact, spatiotemporally precise, and potentially energy-saving alternative. Under these external stimuli, the materials can exhibit dynamic responses involving structural flexibility, electronic-state switching, or localized thermal effects, thereby enabling remote and precise regulation of CO2 adsorption and release. This review summarizes recent progress in external field-regulated crystalline porous materials for carbon capture, with emphasis on light-induced structural deformation, electric field-driven electronic-state switching or structural deformation, and magnetic field-induced magnetothermal effects. The underlying response mechanisms, material design strategies, and advantages of these approaches in reducing regeneration energy consumption are discussed. Finally, the applicable scenarios, current challenges, and future development directions of light, electric field, and magnetic field regulation are comparatively analyzed, providing insights into the design of intelligent and energy-efficient adsorbents for carbon capture.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"56 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149374974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Probing Catalytic CO 2 Reduction with P,C,P-pincer Ge(II) and Sn(II) Hydrides

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-10 DOI: 10.1039/d6qi01857b

Richard Chlebík,Erik Kertész,Milan Erben,Zdenka Ruzickova,Aleš Růžička,Roman Jambor,Zoltán Benkő,Libor Dostál

{"title":"Probing Catalytic CO 2 Reduction with P,C,P-pincer Ge(II) and Sn(II) Hydrides","authors":"Richard Chlebík,Erik Kertész,Milan Erben,Zdenka Ruzickova,Aleš Růžička,Roman Jambor,Zoltán Benkő,Libor Dostál","doi":"10.1039/d6qi01857b","DOIUrl":"https://doi.org/10.1039/d6qi01857b","url":null,"abstract":"Chloro-tetrylenes Ar 1/2 ECl (Ar 1 = 2,6-(tBu2PO)2C6H3; E = Ge or Sn and Ar 2 = 2,6-(tBu2PCH2)2C6H3; E = Sn) were converted to corresponding hydrido-tetrylenes Ar 1/2 EH, which were characterized including single-crystal (sc) X-ray diffraction. The complexes Ar 1B EH (Ar 1B = 2-(tBu2PO)-6-(tBu2P(BH3)O)C6H3; E = Ge or Sn) could also be accessed by coordinating one of the Pdonors in Ar 1 EH toward BH3. All hydrido-tetrylenes were treated with CO2 (1 atm.) to prove their ability to activate this C1feedstock. The germanium species Ar 1 GeH and Ar 1B GeH were inert to CO2, by contrast, all stannylenes Ar 1/2 SnH and Ar 1B SnH readily delivered the respective formates Ar 1/2 SnOC(O)H and Ar 1B SnOC(O)H and could be isolated and structurally characterized. An addition of HBpin to these formates resulted in the formation of boron-substituted CO2 reduced products and recovery of corresponding tin(II) hydrides. Eventually, Ar 1/2 SnH were examined in the catalytic reduction of CO2 using HBpin as the hydride source showing high selectivity in the formation of single product pinacol formate, i.e. pinBOC(O)H. The work is accompanied by an extensive theoretical study focusing on plausible reaction mechanisms.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"37 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149374908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Redox-State-Selective Hydrogen Bonding Enables High Seebeck Coefficient and High Durability of Ruthenium Thermocells

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-10 DOI: 10.1039/d6qi02198k

Nathan Hartanto,Hongyao Zhou,Nozomi Yoneda,Yusuke Wakayama,Tappei Tanabe,Teppei Yamada

{"title":"Redox-State-Selective Hydrogen Bonding Enables High Seebeck Coefficient and High Durability of Ruthenium Thermocells","authors":"Nathan Hartanto,Hongyao Zhou,Nozomi Yoneda,Yusuke Wakayama,Tappei Tanabe,Teppei Yamada","doi":"10.1039/d6qi02198k","DOIUrl":"https://doi.org/10.1039/d6qi02198k","url":null,"abstract":"Thermocells generate electrical voltage from a temperature difference through the temperature dependence of redox potentials. One method to increase the voltage generated is to induce a substantial rearrangement of the surrounding solvent molecules upon electron transfer. Here, we realize this concept by designing hydrogen-bonding interactions that depend strongly on the oxidation state of a ruthenium complex. Tris(4,4′-dioxido-2,2′-bipyridine)ruthenium ([Ru II/III (bpy(O)2)3] 4-/3-) forms hydrogen bonds with alcohol added in organic solvents, with substantially stronger interactions in the Ru(II) state. This redox-state selectivity was evidenced by a larger blue shift of the MLCT absorption peak for Ru(II) than for Ru(III). Their hydrogen bond interaction can be also controlled by the concentration of alcohol in mixed solvent, evidenced by the systematic redox potential shift with log[CH3OH]. The hydrogen bond affinity was thus dependent strongly on temperature change, and as a result, enhancement of Seebeck coefficient in both DMSO/CH3OH and CH3CN/CH3OH mixed solvents, reaching -2.95 mV K⁻ 1 in the CH3CNbased electrolyte. The Ru(II)/(III) couple further sustained power generation for over 50 h under a continuous temperature gradient. These results show that redox-state-selective intermolecular interactions can couple electron transfer to solvent reorganization, providing a molecular strategy for achieving both high Seebeck coefficients and durable thermocell operation.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"57 38 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149374909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Cu–Co electronic synergy in Cu-doped CoCO3 enabling high-performance electrocatalytic nitrate reduction to ammonia

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-10 DOI: 10.1039/d6qi01755j

Ning Wang,Qian Wang,Zhongcan Wang,Mingqi Zhang,Shipeng Wu,Qinghu Tang,Qiu-E Cao,Wenhao Fang

引用次数: 0

Mechanistic DFT study of Ce-catalyzed deoxygenation of primary amides by pinacolborane 环氧乙烷催化伯胺脱氧的DFT机理研究

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-09 DOI: 10.1039/d6qi02241c

Qianqian Li,Feiwu Chen

{"title":"Mechanistic DFT study of Ce-catalyzed deoxygenation of primary amides by pinacolborane","authors":"Qianqian Li,Feiwu Chen","doi":"10.1039/d6qi02241c","DOIUrl":"https://doi.org/10.1039/d6qi02241c","url":null,"abstract":"Rare-earth metals are widely used in catalytic organic synthesis, but the hydroboration of primary amides remains far less explored than that of tertiary amides. In this work, we systematically investigated the cerium-catalyzed hydroboration of primary amides with HBpin, using Ce[N(SiMe3)2]3(THF)3 as the catalyst and density functional theory calculations. The catalytically active species is identified as the Ce(iii)–hemiaminal complex, formed through sequential N–H activation, proton transfer, and dissociation of HN(SiMe3)2. From the M(iii)–amido complex, the reaction proceeds via a hydrogen-transfer mechanism involving B–N bond formation, –OBpin group transfer, hydride transfer to Ce, H2 elimination, B–O bond formation, and release of O(Bpin)2. Unlike tertiary amides, the deoxygenative borylation of primary amides faces a distinct challenge: both N–H protons must be replaced by Bpin groups during the elimination step. Calculations pinpoint early hydride transfer as the product-determining step. Advanced quantum-chemical analyses (Mayer/Wiberg bond orders, atomic charges, IRI, ESP, ETS-NOCV, NAdO, IGMH, AIM topology, and Laplacian of electron density) consistently show that uncatalyzed H2 elimination is energetically prohibitive and clarify the electronic and steric factors responsible for the mechanistic divergence between primary and tertiary amide substrates. This work offers a solid theoretical basis for designing rare-earth-catalyzed hydroboration systems tailored to challenging primary amides.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"261 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149368159","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Hydration-Switched Photochromism and Sequential Magnetic Tuning in a Dysprosium Complex 镝配合物中水合开关光致变色和顺序磁调谐

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-09 DOI: 10.1039/d6qi02199a

Ke Wang,Feng PAN,Jin Xiong,Hao-Ling Sun,Song Gao

{"title":"Hydration-Switched Photochromism and Sequential Magnetic Tuning in a Dysprosium Complex","authors":"Ke Wang,Feng PAN,Jin Xiong,Hao-Ling Sun,Song Gao","doi":"10.1039/d6qi02199a","DOIUrl":"https://doi.org/10.1039/d6qi02199a","url":null,"abstract":"Multistimuli-responsive lanthanide molecular nanomagnets have attracted increasing research interest due to their potential in molecular devices and information technologies. Using one stimulus to switch the response to another on or off provides more sophisticated control over responses, but remains challenging. Here, we designed and synthesized a two-dimensional Dy–quinolinium coordination polymer integrating photoactive donor–acceptor units with Dy3+ magnetic centres, which exhibits hierarchical responsiveness to solvent and light stimuli. Reversible lattice desolvation and resolvation interconvert two phases, denoted {[Dy(QPA)(4,6-pmdc)(H2O)]•2H2O}n (1, QPA− = 1-(2-phosphonoethyl)quinolinium chloride, 4,6-pmdc2− = pyrimidine-4,6-dicarboxylate) and {[Dy(QPA)(4,6-pmdc)(H2O)]}n (2), accompanied by reorganization of both the Dy3+ coordination geometry and the donor–acceptor arrangement. This transformation enhances the magnetic anisotropy. The magnetic relaxation barrier increases from 109(5) K in 1 to 141(5) K in 2, with a broadening of the magnetic hysteresis loops. Importantly, dehydration enables a photochromic response, accompanied by a sequential alteration of magnetic relaxation properties. Whereas 1 remains colourless under UV irradiation, dehydrated 2 rapidly turns deep purple and forms the photoinduced state 2* while retaining its crystalline coordination framework. Spectroscopic and structural analyses indicate that lattice-water removal reorganizes the local donor–acceptor environment, which may facilitate the photoinduced electron transfer (PET) from the carboxylate groups to the quinolinium moieties. The PET further impairs the slow magnetic relaxation performance, as revealed by decrease in effective barrier to 97(3) K, as well as close of hysteresis loops in 2*. These results establish a lattice-solvent-gated photo-responsive lanthanide molecular nanomagnet, in which reversible desolvation/solvation regulates the light response and enables subsequent light-induced modulation of magnetic relaxation.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"6 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149368144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Correction: Boosting charge transport in lead chalcogenide quantum dots with short-wave infrared band gaps through anion composition engineering 修正：利用阴离子组成工程增强短波红外带隙铅硫系量子点中的电荷输运

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-09 DOI: 10.1039/d6qi90095j

Seohee Park,Yongwoo Jeon,Hong Gu Kang,Cheayeon Lim,Taewon Goo,Younghyun Kim,Seong-Yong Cho,Seoungmin Park,Se-Woong Baek,Jeongeun Kim,Younghoon Kim,Sung Nam Lim,Shin Ae Song,Dennis T. Lee,Jung Hoon Song,Sohee Jeong,Ju Young Woo

引用次数: 0

Assembly of the First Series of Polyoxotantalate-Templated High-Nuclearity Silver Nanoclusters with Anisotropic Charge-Transport Behavior 第一批具有各向异性电荷输运行为的多氧化钽酸盐模板高核银纳米团簇的组装

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-11-07 DOI: 10.1039/d6qi02227h

Qian-Sheng Lai,Xiang Ma,Hao-Hong Li,Shou-Tian Zheng,Xin-Xiong Li

引用次数: 0