Advanced Composites and Hybrid Materials
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2026
·Vol. 9
·期 1
·72
·
IF 21.8
Wang Aoxuan,Fang Yuan,Wang Xianfeng,Zheng Dapeng,Yang Haibin,Cao Xiangpeng,Zhang Zuhua,Xing Feng
With the increasing use of aluminum-rich (Al-rich) supplementary cementitious materials (SCMs), clarifying the roles of aluminum in C-A-S-H gels and in surplus Al-rich phases is critical for assessing chloride resistance. An Al-rich C-A-S-H material was synthesized under precise stoichiometric conditions and exposed to accelerated chloride ingress for up to 120 days. The evolution of phase assemblage, gel chemistry and physicochemical properties was monitored during the exposure. A time-dependent model was developed to describe chloride ingress and binding. Chloride ion binding in the Al-rich C-A-S-H occurred through both chemical solidification in Friedel’s salt and physical adsorption, with physical adsorption on C-A-S-H surfaces being dominant, accounting for approximately 60–70% of total bound chloride. The Al-rich phase primarily acted as a “reservoir,” releasing Ca 2+ and Al 3+ which facilitated the formation of Friedel’s salt and promoted the subsequent formation of C-A-S-H gel. Furthermore, the subsequent re-incorporation of aluminum into the C-A-S-H gel under chloride leading to a partial transformation from cross-linked to non-cross-linked silicate chains. This structural evolution is accompanied by a marked micromechanical degradation, with the Young’s modulus decreasing from 11.1 to 6.9 GPa under highly accelerated, severe exposure conditions. Overall, these results provide a time-resolved mechanistic picture of how C-A-S-H gel and surplus Al phases co-evolve under chloride attack, offering a new basis for the durability design of SCM-rich cementitious composites.
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npj 2D Materials and Applications
·
2026
·
IF 9.2
Sattar Kubra,Babichuk Ivan S.,Khan Saleem Ayaz,Yang Jian,Rizwan Syed
The emergence of artificial intelligence and neuromorphic computing has revealed the importance of two-dimensional (2D) layered materials in the field of non-volatile memory technologies. Based on the available literature, this is the very first report demonstrating the integration of 2D Transition Metal Carbide MXenes, i.e. Titanium Carbide (Ti 3 C 2 T x ) and Vanadium Carbide (V 2 CT x ) with MoS 2 from the Transition Metal Dichalcogenide family for memristor devices. The nanoscale Ti 3 C 2 T x and V 2 CT x MXene were employed as the bottom electrodes (as independent as well as bi-electrode combination) deposited uniformly on the substrate, along with the successful transfer of Chemical Vapor Deposition grown few-layers MoS 2 onto the nano-ranged sheets of MXene with Ag utilized as the top electrode. Raman analysis and Optical microscopy images indicated the fabrication of the novel best-yielding device Ti 3 C 2 /V 2 C/MoS 2 /Ag structure with high fidelity. Additionally, current-voltage (I-V) analysis showcased bipolar resistive switching phenomena comprising of an efficiently low SET voltage of 0.6 V, endurance of up-to 3000 cycles and retention of over 10 3 seconds, extrapolated over million seconds. The stability of SET/RESET voltages, cycle-to-cycle and device-to-device reproducibility is demonstrated by 18 devices for a memristor array of (5 ×5), emphasizing the unexplored potential of MXene and MoS 2 based memristors for the scalable and large-area integration of devices in future memristors. Furthermore, Ti 3 C 2 /V 2 C/MoS 2 /Ag memristor also exhibited synaptic features of potentiation and depression showcasing potential to be employed in neuromorphic computing techniques.
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Journal of the Iranian Chemical Society
·
2026
·Vol. 23
·期 3
·65
·
IF 2.4
Guo Zihan,Yan Qinglei,Shi Lei,Zhang Xiaojie,Xing Shiwen,Wang Huanxin,Zhang Wei,Zhong Libo,Liu Baoyou,Bian Yonghuan,Wang Limin,Yue Gang
A strategy for enhancing organic chemical reactions was investigated using deep eutectic solvents (DESs). A DES system comprising caprolactam and sorbitol in a 3:1 molar ratio was developed and successfully applied to Suzuki coupling reactions. Under optimized conditions (100 °C, 25 min reaction time, 0.14 g/mol PdP 4 catalyst loading), the coupling of 12 bromoarenes with 7 phenylboronic acids was achieved, yielding products with > 71% conversion in all cases. Notably, the DES-catalyst system demonstrated the excellent recyclability, maintaining > 91% yield over five consecutive cycles. Through quantum chemical calculations, the hydrogen-bonding network within the DES and its coordination mechanism with PdCl₂ were elucidated. Comparative analysis revealed a 9.6-fold acceleration in reaction rate and an 80% reduction in catalyst consumption compared to the conventional methods. These findings established a green and efficient synthetic methodology for Suzuki coupling reactions, demonstrating significant potential for industrial-scale applications.
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Reaction Kinetics Mechanisms and Catalysis
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2026
·
IF 2.1
Hu Yanan,Yang Dawei,Li Qiaoling,Yu Chengcheng
Herein, a Cr-doped Ni-Cu/(NiOH) 2 coating supported on nickel foam (Ni-Cu-Cr/NF) was fabricated via a facile one-step electrodeposition strategy and employed as an efficient electrocatalyst for the hydrogen evolution reaction (HER) in alkaline media. In 1 M NaOH, Ni–Cu–Cr/NF requires an overpotential of 30 mV to reach a current density of − 10 mA cm⁻ 2 and exhibits a Tafel slope of 55 mV dec⁻ 1 . These electrochemical results are associated with the combined effects of the multicomponent composition and an increased electrochemically active surface area (ECSA). The ECSA of Ni–Cu–Cr/NF is approximately 23.6 times that of Ni–Cu/NF. In addition, the catalyst maintains stable operation for 60 h during continuous electrolysis. This work presents a simple preparation method for the novel Ni-Cu-Cr/NF catalyst and systematically investigates the impact of Cr doping on enhancing catalytic performance, providing an effective strategy for the development of nickel-based alloy electrocatalysts. Graphical
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MOLECULAR DIVERSITY
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2026
·
IF 4.3
Zhao Likun,Li Hongfu,Ma Xiuling,Sun Jiahao,Tong Henry H.Y.,Huang Huitao,Chan Hongtou,Yao Xiaojun,Liu Huanxiang,Zhang Qianqian
The rapid emergence of drug-resistant Mycobacterium tuberculosis strains has progressively undermined the efficacy of existing anti-tuberculosis therapies, underscoring the urgent need for new therapeutic agents. MmpL3, an essential transporter involved in mycobacterial cell wall biosynthesis, represents a promising drug target. In this study, an integrated virtual screening strategy that combined pharmacophore-based and structure-based approaches was applied to screen the ChemDiv database, followed by biological evaluation, to identify potential MmpL3 inhibitors. Six compounds (F784-0295, Y205-0192, F624-3971, C200-4969, Y508-1233, and 8018 − 0330) showed measurable antimycobacterial activity. Among them, the previously unreported pyrazolo[1,5-a]pyrimidine derivative Y508-1233 exhibited potent activity against both H37Rv and multidrug-resistant Mycobacterium tuberculosis strains, with an MIC 90 of 37.3 µM for each strain. ADMET predictions indicated generally acceptable pharmacokinetics, though somewhat lipophilic with limited solubility. Molecular dynamics simulations revealed that Y508-1233 remains stably bound within the central channel of the MmpL3 transmembrane domain, primarily through nonpolar interactions with helices TM4 and TM10, accompanied by a persistent hydrogen bond between its carboxamide nitrogen and Asp640. Structural analysis identified an unoccupied subpocket delineated by Leu243 and Ile244, providing a structural basis for further molecular optimization. Furthermore, τ-random acceleration molecular dynamics simulations predicted that Y508-1233 may exhibit a relatively favorable residence time. These findings indicate that Y508-1233 is a putative MmpL3-targeting candidate with promising activity against drug-resistant tuberculosis, warranting further optimization and experimental validation.
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JOURNAL OF POROUS MATERIALS
·
2023
·Vol. 30
·期 4
·1311-1318
·
IF 2.6
Li Haojie,Hou Xiaozhe,Zhang Ling,Wei Ying,Liang Yan,Qiao Junjun,Su Haohao,Gao Xibing,Jia Jingbo,Zhang Runduo
Extra-large-pore aluminogermanosilicate zeolite IRR with interconnected 18 × 12 × 12-ring channels was prepared within a wide range of Si/Ge and Al/(Si+Ge) ratio by using a new simple and commercial alkyl-immidazolium as template. The physicochemical properties of IRR zeolite were further characterized by the combination of several techniques, including XRD, SEM, NMR, TGA, ICP, N 2 physisorption, NH 3 -TPD etc. The results revealed that aluminum could be mostly incorporated in the framework with an obviously higher content as a result of the relatively smaller organic template used in this approach. The detemplated IRR by calcination at 550 °C in air presented excellent microporosity with the presence of 18-ring extra-large-pore opening, and considerable amount of acid sites with strong acidity. Finally, for the first time the catalytic performance of IRR zeolite, in comparison with large-pore Beta (12 × 12 × 12-ring) and extra-large-pore NUD-1 (18 × 12 × 12-ring) zeolites, were evaluated for acetalization reaction of aldehydes with triethyl ortoformate. The results showed that the catalytic activity of these three zeolites for aldehydes with different molecular size, that is heptanal and diphenylacetaldehyde, were in diametrically opposite order. IRR exhibited the highest catalytic conversion on bulky substrate diphenylacetaldehyde because its much more open channel system better facilitated the diffusion of reactants into the structure interior, where active acidic sites were located.
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Nature Communications
·
2023
·Vol. 14
·期 1
·1-12
·
IF 16.6
Chen Jianjun,Xiong Shangchao,Liu Haiyan,Shi Jianqiang,Mi Jinxing,Liu Hao,Gong Zhengjun,Oliviero Laetitia,Maugé Françoise,Li Junhua
The spillover of oxygen species is fundamentally important in redox reactions, but the spillover mechanism has been less understood compared to that of hydrogen spillover. Herein Sn is doped into TiO 2 to activate low-temperature (<100 °C) reverse oxygen spillover in Pt/TiO 2 catalyst, leading to CO oxidation activity much higher than that of most oxide-supported Pt catalysts. A combination of near-ambient-pressure X-ray photoelectron spectroscopy, in situ Raman/Infrared spectroscopies, and ab initio molecular dynamics simulations reveal that the reverse oxygen spillover is triggered by CO adsorption at Pt 2+ sites, followed by bond cleavage of Ti-O-Sn moieties nearby and the appearance of Pt 4+ species. The O in the catalytically indispensable Pt-O species is energetically more favourable to be originated from Ti-O-Sn. This work clearly depicts the interfacial chemistry of reverse oxygen spillover that is triggered by CO adsorption, and the understanding is helpful for the design of platinum/titania catalysts suitable for reactions of various reactants.
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Nature Communications
·
2026
·
IF 18.1
Luan Xiaoxi,Wu Fengxia,Tian Yu,Li Fenghua,Gao Wenping,Xu Guobao,Zheng Guangchao,Wong Wing-Leung,Wong Kwok-Yin,Niu Wenxin
Hierarchical chirality, arising from the coupling of chiral surfaces, units, assemblies, and overall architectures, represents a structural paradigm with profound implications for enantioselective catalysis, molecular recognition, and chiral photonics. Unraveling and regulating its formation across multiple length scales is crucial for understanding structure–property relationships and guiding the design of chiral nanomaterials. Here, we present a strategy for constructing step-rich Pt@Au nanostructures with multilevel chirality. Using octahedral Pt nanoframes as templates and cysteine as a chiral inducer, rotated and oriented Au triangular pyramids with high-Miller-index chiral facets are generated, leading to the formation of fishbone-like, pinwheel-like, and tilted-step surface features that collectively constitute a hierarchical chiral nanostructure. Mechanistic studies identify cysteine and Pt nanoframes as indispensable for directing step formation and hierarchical growth, thereby defining the overall morphology and chiroplasmonic responses. Leveraging the abundant chiral surface area and the strong chiral electromagnetic nearfields generated under plasmonic excitation, we fabricate monolayer-modified electrodes based on the Pt@Au nanostructures that enabled plasmon-enhanced enantioselective electrochemical recognition of penicillamine enantiomers and determination of their enantiomeric purity. This strategy clarifies the origin of multilevel chirality in step-rich architectures and establishes a structural engineering approach for designing chiral nanomaterials with enhanced near-field properties for enantioselective recognition.
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Nature Communications
·
2026
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IF 18.1
Wang Kuiyou,Li Guanwu,Zhang Yunfeng,Xu Hechao,Zhao Bo,Wei Jianshuang,Kang Wenbin,Wang Dong,Song Lixian,Zheng Weitao,Song Yingze,Sun Jingyu
Li‒S batteries offer a transformative alternative to present energy storage technologies. However, their practical viability is impeded by polysulfide shuttling and lithium dendrite formation. Electrolyte engineering seeks to solve these thorny issues, yet conventional approaches rely on internal, static or invasive modifications. Here we report an acoustic-induced entropy-driven electrolyte design to steer Li‒S chemistry, realizing enhanced sulfur conversion kinetics and sustained lithium working interface. With the aid of comprehensive instrumental and computational toolbox, it is shown that the entropy-driven state of the electrolyte propels the homogeneous nucleation of both sulfur and lithium species, along with dictating Li-ion desolvation process. The designed electrolyte at a lean dosage of 2.9 µL mg –1 readily enables a 1.1 Ah-level pouch cell with a delivered specific energy of 404.1 Wh kg -1 without packaging. Our electrolyte formulation concept using external field modulation offers an appealing solution to overcome key hurdles in Li–S technology toward high-performance devices.
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Cell Discovery
·
2026
·Vol. 12
·期 1
·30
·
IF 16.9
Bai Junping,Geng Dandan,Chen Xinwen,Li Wanting,Wang Xiaowei,Tian Luyang,Han Yi,Jin Zhao,Du Meihang,Tang Yang,Hu Weisheng,Zhu Chunxiao,Zhang Shan,Zhao Zhangting,Zhang Run,Zhang Xinru,Kang Wei,To KaFai,Nomura Sachiyo,Guo Fenghua,Jiao Shi,Xie Yixuan,Zhou Zhaocai,Dong Chao,Li Hui,An Liwei
Protein monoaminylation represents a new layer of neural–cancer regulation, but its role in gastric tumorigenesis is not understood. Using untargeted plasma metabolomics, we revealed that the level of serotonin (5-HT) is significantly elevated in gastric cancer (GC) patients. Functionally, 5-HT treatment dramatically promoted GC cell proliferation and tumor growth in a dose-dependent manner. Importantly, this oncogenic effect was abrogated by the inhibition of transglutaminase 2 (TGM2), indicating a crucial role for protein serotonylation via a receptor-independent mechanism. Using a 5-HT-based chemoproteomic probe, we identified a broad spectrum of serotonylation targets, including key ferroptosis-related proteins such as glutathione peroxidase 4 (GPX4). Specifically, we found that GPX4 is serotonylated by TGM2 at residues Gln55 and Gln77, which increases GPX4 protein stability by attenuating its ubiquitin-mediated degradation, thereby conferring resistance to ferroptosis and facilitating tumor growth. Clinically, TGM2 levels were positively correlated with tumoral GPX4 expression in GC patient specimens. Collectively, our results establish TGM2-mediated GPX4 serotonylation as a key mechanism driving GC progression through ferroptosis resistance, highlighting its potential as both a diagnostic biomarker and a therapeutic target within the neural–tumor axis.
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Nature Nanotechnology
·
2026
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IF 37.5
Tian Ruijia,Sun Kexuan,Meng Yuanyuan,Xie Jiahan,Wang Yaohua,Lu Xiaoyi,Wang Jingnan,Zhou Shujing,Yang Ming,Pan Haibin,Bai Yang,Song Zhenhua,Yang Yingguo,Liu Quan,Han Bin,Tang Bencan,Walsh Darren A.,Do Hainam,Liu Chang,Ge Ziyi
All-perovskite tandem solar cells are constrained by asynchronous crystallization in multicomponent perovskites, which produces vertical compositional gradients, structural inhomogeneity and excessive non-radiative recombination. These effects arise from mismatched coordination and crystallization kinetics among mixed halides and Pb 2+ /Sn 2+ cations. Here we establish a generalizable additive design strategy guided by hard–soft acid–base principles to synchronize nucleation and crystal growth in both wide- and narrow-bandgap perovskites. Borderline-base difluoro(oxalato)borate and hard-base tetrafluoroborate selectively coordinate wide- and narrow-bandgap perovskite precursors, respectively, balancing the crystallization kinetics of PbI 2 /PbBr 2 and PbI 2 /SnI 2 and producing vertically uniform perovskite films with reduced defect densities and suppressed ion migration. In situ optical and structural characterization reveals homogeneous nucleation and direct crystal growth without intermediate halide redistribution. Monolithic two-terminal tandems achieve an efficiency of 30.3% (certified, 30.3%) with improved open-circuit voltage (2.16 V) and fill factor (85.2%), retaining 92% efficiency after 1,000 h of maximum power point tracking. Flexible tandems reach an efficiency of 28.2% (certified, 28.0%). These results establish chemical hardness matching as a universal principle for controlling crystallization in different perovskite systems.
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CHINESE JOURNAL OF POLYMER SCIENCE
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2026
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IF 4.6
Zhao Ming-Zhe,Zhu Kong-Ying,Yuan Xiao-Yan,Ren Li-Xia
Membrane-less organelles (MLOs), formed by liquid-liquid phase separation (LLPS) of biomolecules in cells, play crucial roles in cellular function such as gene expression, epigenetics, cellular metabolism, and so on. Moreover, the function of MLOs is closely related to the size of their droplets. Synthetic coacervates, which mimic MLOs, show great potential in cell biomimicry, drug delivery, and functioning as nanoreactors. However, the droplet size regulation of coacervates excluding concentration is challenging. In this work, synthetic coacervates are formed by poly(hydroxypropyl acrylate) (PHPA), which undergoes lower critical solution temperature (LCST)-type coacervation driven by hydrophobic interactions under physiological conditions. The size of the coacervate droplets is regulated by incorporating a more hydrophobic block, poly(di(ethylene glycol) ethyl ether acrylate) (PDEGA); the droplet size decreases from 5 µm to 234 nm as the PDEGA block length increases. Additionally, liquid-to-solid phase transition (LSPT) is observed with further increase in the PDEGA block. Thus, both droplet size and LSPT are controlled by the hydrophobicity of the block copolymers. The LCST-type coacervate shows thermal protection of enzymes such as glucose oxidase, which decreases as the size of coacervate droplets decreases, while the precipitates offer no protection activity. Furthermore, glucose oxidase (GOx) retains over 85% of its activity after 3 h of treatment at 60 °C with PHPA 44 coacervate. The hydrophobicity-tuned size control of coacervate droplets and LSPT bring insight into the molecular mechanism of coacervate phase change and facilitates the design of coacervate for biomimicking applications. The alternative text for this image may have been generated using AI.
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