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CEMENT AND CONCRETE RESEARCH · 2026 · IF 14

Thermodynamic modeling and mechanistic insights into Cu2+ sorption by C-S-H with different Ca/Si ratios

Zedong Zhou,Hangxi Liu,Juanlong Li,Yiru Yan,George Dan Miron,Barbara Lothenbach,Biwan Xu,Ming Fang,Xiaoli Tan,Bin Ma

Calcium silicate hydrate (C-S-H), the principal binding phase in Portland cement, plays a critical role in the immobilization of heavy metals, yet a quantitative and mechanistic understanding of Cu 2+ uptake by C-S-H remains incomplete. This study investigates the immobilization behavior of Cu 2+ by C-S-H with systematically controlled Ca/Si ratios (0.6–1.6) and develops a thermodynamically consistent sublattice solid-solution model. The C-S-Hs were synthesized under sorption equilibrium conditions and characterized to determine their structural evolution with Ca/Si ratio. Cu 2+ sorption was subsequently examined on pre-synthesized C-S-Hs, combined with spectroscopic analyses to elucidate Cu coordination environments. The results show that Cu 2+ is immobilized predominantly through structural incorporation at low Cu 2+ loadings rather than hydroxide precipitation. With increasing Cu 2+ concentration, Cu 2+ progressively intercalates into the interlayers of C-S-H, partially replacing interlayer Ca 2+ and forming Si-O-Cu linkages associated with Q 2 silicate sites. The Ca/Si ratio strongly controls both uptake capacity and binding mechanism. High Ca/Si ratios promote silicate-chain polymerization through conversion of Q 1 to Q 2 units, whereas extremely low Ca/Si ratios induce redistribution between Q 2 and Q b 2 species. At intermediate Ca/Si ratios, Cu 2+ is mainly stabilized as hydroxyl-associated species. Once the sorption capacity is exceeded, excess Cu 2+ transforms into CuO under alkaline conditions. Based on these observations, a CASH+Cu thermodynamic model incorporating five Cu-bearing endmembers was developed and calibrated using both aqueous and solid-phase data. The model quantitatively reproduces Cu uptake, solution chemistry, and phase assemblages, providing a predictive framework for Cu 2+ retention in cementitious systems.

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ENERGY · 2026 · IF 10.1

Study on a solar driven dual-channel MOFs ventilated wall for continuous indoor 24-h air dehumidification

Feiyang Xu,Jing Li,Zhen Zhu,Chuting Lai,Wenluo Li,Niansi Li,Bendong Yu

In hot and humid climates, establishing continuous and energy-efficient humidity control strategies is crucial for improving indoor environmental quality. However, most existing adsorption dehumidification systems are unable to operate continuously due to the necessary regeneration process of adsorbent materials. Therefore, this study proposes a solar-driven dual-channel ventilated Trombe wall system based on MOFs, which achieves 24-h continuous indoor dehumidification via alternating adsorption-desorption operations. MOFs/CF is employed as the adsorption bed. Two identical beds operate in an alternating manner, utilizing cold and hot water circulation to provide the driving force for the adsorption and regeneration processes, respectively. Cold water is supplied at 25 °C and hot water is provided by solar energy. The comprehensive performance of the system is evaluated through modular experimental testing and numerical simulations. Experimental results demonstrate that the MOFs/CF adsorption bed achieves a maximum adsorption capacity of 0.91 g/g. Elevating the desorption temperature enhances the regeneration performance; at a desorption temperature of 80 °C, the peak relative humidity difference between the inlet and outlet air reaches 12.8%. Furthermore, simulation results reveal that with a single adsorption bed featuring an effective area of 0.4 m 2 and an MOF loading of 0.96 kg, the system achieves its maximum dehumidification capacity under the 80 °C condition. In this scenario, the system completes approximately five cycles within 24 h and yields a total daily moisture removal of 4.54 kg. In addition, the system demonstrates superior overall performance under the 70 °C condition, where the thermal driving efficiency peaks at 87.22%.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Substituent-directed degradation mechanisms of glucose derivatives under UV/H₂O₂ treatment: Integrated experimental and theoretical insights

Biyang Zhu,Abdul Mueed,Jiachen Liang,Lijun You

The radical-mediated degradation of polysaccharides is a promising route to modify their bioactivity, but the fundamental role of side-chain substituents in directing these reactions remains unclear. Therefore, this study systematically investigated the influence mechanisms of substituents on the monosaccharide degradation under UV/H₂O₂ treatment. Six glucose derivatives, including d -glucose, D-gluconic acid, methyl-D-glucopyranoside, D-glucal, D-glucosamine, and D-glucono-δ-lactone, were selected to represent typical electron-donating (-OCH₃, -NH₂), electron-withdrawing (-COOH, -C=O), and unsaturated double bond (C=C) groups. Degradation kinetic analysis revealed that electron-donating groups accelerated the radical degradation (k obs  = 31.59 × 10 −3  min −1 for D-glucal), while electron-withdrawing groups decelerated it (k obs  = 17.50 × 10 −3  min −1 for D-gluconic acid). The formation of carbonyl and carboxyl groups showed distinct accumulation patterns dependent on the substituent. Product profiling via high-performance anion exchange chromatography coupled with tandem electrospray mass spectrometry (HPAEC-ESI-MS/MS) demonstrated unique fragment patterns for each derivative, confirming substituent-directed reaction pathways. Quantum chemistry calculations further validated the proposed mechanisms, showing that electron-donating groups lowered the energy barriers for key steps such as hydrogen abstraction and peroxyl-radical cleavage. This work elucidates that the electronic properties of side-chain substituents determine the regioselectivity, kinetics, and product distribution in monosaccharide radical degradation. The findings provide a foundational mechanistic framework for predicting and controlling the degradation of complex functional polysaccharides.

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Surfaces and Interfaces · 2026 · IF 6

H₂-Induced Strong MoS₂/CdS Interfacial Coupling with NiS Modification for Efficient Visible-Light-Driven Hydrogen Evolution

Suhaib Shuaib Adam Shuaib,Yulu Xu,Mengdie Cai,Hao Li,Guo Jiayu,Jun Zhang,Fang Chen,Song Sun

The strong interfacial interaction between heterostructured semiconductors plays a vital role in enhancing the separation and transport efficiency of photogenerated charge carriers for photocatalytic applications. In this study, we report a stepwise synthesis strategy to fabricate a high-efficiency ternary heterojunction composed of NiS-decorated MoS₂/CdS with strong interfacial bonding (NS@SI-MCS). Initially, an amorphous MoSₓ layer was deposited onto CdS nanorods via chemical bath deposition, followed by thermal treatment in a reductive H₂/Ar atmosphere to form crystalline MoS₂ with strong interfacial coupling. This treatment not only improved the crystallinity of MoS₂ but also introduced sulfur vacancies, promoting enhanced interfacial contact and thereby strengthening electronic interactions and charge transport across the heterojunction. Subsequently, NiS nanoparticles were deposited as cocatalysts to facilitate efficient electron extraction and proton reduction. Comprehensive structural, optical, and electrochemical characterizations confirmed the formation of a well-integrated heterostructure, characterized by improved light absorption, suppressed charge recombination, and enhanced conductivity. The resulting NS@SI-MCS composite exhibited a remarkable hydrogen evolution rate of 5243 μmol h⁻¹g⁻¹ under visible light, approximately 16.6 times higher than pristine CdS. This enhancement is attributed to the synergistic effects of strong interfacial coupling of MoS₂/CdS and the catalytic contribution of NiS. This work provides valuable insight into designing strongly coupled heterojunctions and offers a scalable, noble-metal-free strategy for efficient solar-to-hydrogen conversion.

CAS / MDL: 1313-84-4 64-17-5
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Materials Today Bio · 2026 · IF 11

Plant-Bacteria Hybrid Nanovesicles for Targeted Sonodynamic Therapy: A Microbiome-Friendly Precision Strike against H. pylori Infections

Li Yang,Qianlei Ye,Xinran Peng,Jiayin Yu,Xueyi Xiao,Lei Wang,Yi Yan Yang,Peiyan Yuan,Guo-Bao Tian,Xin Ding

Rising antibiotic resistance and adverse effects on commensal gut microbiota severely compromise conventional antibiotic therapies for Helicobacter pylori infection. Sonodynamic therapy (SDT), which employs low-intensity ultrasound to activate sonosensitizers for localized generation of cytotoxic reactive oxygen species (ROS), presents a promising non-antibiotic alternative with minimal resistance development risk. However, the efficacy of SDT is inherently constrained by the short diffusion radius and lifetime of ROS. Herein, we developed a homologous-targeting biomimetic sonosensitizer platform to overcome this limitation: hybrid membrane nanovesicles (TNVs-DMVs) engineered from turmeric plant-derived exosome-like nanovesicles (TNVs) and H. pylori -derived double membrane vesicles (DMVs). TNVs contain sonosensitizer curcumin and improve its solubility, yet SDT efficacy against H. pylori is limited. The DMVs endow TNVs-DMVs with intrinsic homologous targeting capability towards H. pylori , significantly enhancing the intracellular delivery of curcumin and subsequent ROS generation within bacterial cells. As a result, TNVs-DMVs achieved potent eradication of H. pylori in both acidic and neutral conditions without inducing detectable resistance. Moreover, TNVs-DMVs exhibited superior mucus penetration compared to TNVs alone, enabling effective elimination of H. pylori and its biofilms residing within the protective gastric mucus layer. In an H. pylori -infected mouse model, TNVs-DMVs mediated SDT demonstrated efficacy surpassing free TNVs and comparable to standard triple antibiotic therapy. Importantly, unlike triple therapy which depletes commensal flora, TNVs-DMVs treatment not only preserves intestinal microbiota homeostasis but also significantly increases populations of beneficial bacteria. This rationally designed TNVs-DMVs platform represents a transformative therapeutic modality, offering resistance-free eradication of H. pylori while maintaining microbiome health, distinct from conventional antibiotics.

✓ 已验证 DOI PubMed 高影响因子
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Thermal Science and Engineering Progress · 2026 · IF 5.6

Investigation on the heat transfer performance of synergistically modified h-BN nanofluids in synthetic ester coolant systems

Xiaoru Huang,Shengmao Zhang,Chao Ju,Gaiqing Zhao,Qin Zhao,Xiaobo Wang

h-BN is modified via synergistic KH550 and Span 80. BNKS nanosheets sustain stable dispersion in ester oil 1190 for 7 days. • BNKS nanofluids show less viscosity rise. BNKS-5 has 8.27% higher thermal conductivity (0.1693 W·m −1 ·K −1 , 20 ℃) vs ester oil. • BNKS-5 nanofluid lowers battery module maximum temperature difference to 4.80 °C at 4 L/min. Immersion cooling technology enables efficient heat dissipation through direct heat exchange between coolants and components. Ester oils are considered potential cooling media owing to their biodegradability and excellent thermal stability; however, their low thermal conductivity limits further improvement in cooling performance. Thus, this study proposed and implemented a synergistic mechanism combining chemical bonding and physical adsorption through the surface modification of h-BN with KH550 and Span 80. Nanofluids were prepared using ester oil 1190 as the base fluid, and their dispersion stability, rheological properties, and thermal conductivity were evaluated. Numerical simulations were further conducted to assess the cooling performance of the BNKS nanofluid in an immersion cooling system. The results demonstrated that the modified BNKS nanosheets exhibited improved short-term dispersion stability in ester oil 1190 compared with h-BN, maintaining stable dispersion after 7 days of static sedimentation. Moreover, surface modification reduced the viscosity increase of high-concentration nanofluids. At 20 °C, the BNKS-5 nanofluid achieved a thermal conductivity of 0.1693 W·m −1 ·K −1 , corresponding to an 8.27% enhancement compared with ester oil 1190. At a flow rate of 4 L/min, the BNKS-5 nanofluid decreased the maximum temperature difference of the battery module to 4.80 °C and maintained an average temperature of 26.78 °C, indicating enhanced temperature uniformity and cooling performance. This study proposed a synergistic surface modification strategy that integrated KH550-induced chemical bonding with the physical adsorption of Span 80 to improve the dispersion stability and thermal transport properties of ester oil-based h-BN nanofluids, highlighting their potential for immersion cooling applications.

CAS / MDL: 2530-85-0
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SEPARATION AND PURIFICATION TECHNOLOGY · 2026 · IF 9.1

Hydrophilic high strength polyvinyl alcohol-based (H-ZSM-5/PVA@SSM) hydrogels for oil-water/emulsion separation

Hanyu Shi,Hongliang Fu,Shaocong Zhan,Yue Lian,Yong Dai,Yongfeng Hu,Yang Zang,Zhifeng Wang,Jing Zhao,Huaihao Zhang

Oily wastewater discharge severely endangers ecology and human health, driving demand for oil-water separation materials with high efficiency and environmental friendliness. In this study, the H-ZSM-5 molecular sieves were incorporated into PVA matrix and loaded onto stainless steel mesh (SSM) to construct H-ZSM-5/PVA@SSM composite hydrogel separation material. H-ZSM-5 builds continuous water transport channels for large water flux, increases surface roughness on composite hydrogels to form stable hydration layers and improve oil resistance, while hydrogen bonding reinforces adhesion with PVA matrix. Meanwhile, the SSM as rigid supporting framework offers steady mechanical support for hydrogel coating, and effectively improve material mechanical strength and reusability. The optimal H-ZSM-5/PVA-0.5@SSM sample achieves markedly increased water flux rising from 113.04 L m −2  h −1 (PVA@SSM) to 735.82 L m −2  h −1 , while maintaining separation efficiency above 96% after 30 cycles. Besides, the material gains oil-in-water emulsion separation efficiency up to 99.80% with water flux of 1.086 × 10 5  L m −2  h −1  bar −1 . Also, the H-ZSM-5/PVA-0.5 composite hydrogel gains tensile strength enhancement from 22.16 MPa to 26.97 MPa compared to pristine PVA hydrogel. By integrating H-ZSM-5 porous transport merit, PVA hydrophilicity and SSM rigid support, the H-ZSM-5/PVA-0.5@SSM achieves efficient purification of oily wastewater and emulsions.

CAS / MDL: 85-83-6
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RARE METALS · 2025 · IF 11

Oxygen vacancy in lead-free perovskite Cs2AgBiBr6/WO3-X for enhanced photocatalytic C(sp3)-H bond oxidation

Chen Taoran,Qin Tian,Sun Hongli,Su Chenliang

Photocatalytic oxidation of toluene to valuable benzaldehyde offers a promising pathway for sustainable production of fine chemicals and pharmaceuticals. In this process, photogenerated holes play a crucial role in C(sp 3 )-H bond dissociation. However, the photocatalytic performance of current photocatalysts is often hindered by the low separation and transfer efficiency of photogenerated charges. In this work, we presented a perovskite-based heterostructure via in situ growth of defective WO 3- x nanosheets on Cs 2 AgBiBr 6 nanoparticles for photocatalytic toluene transformation. In situ Fourier transform infrared spectroscopy tests proved the introduction of oxygen-deficient WO 3- x component enhanced the chemisorption of molecular oxygen. The in situ electron paramagnetic resonance and 4-chloro-7-nitro-1,2,3-benzoxadiazole fluorescence measurements further confirmed the presence of oxygen vacancies, and the formation of heterostructure synergistically accelerated the formation of the superoxide radicals and the transfer of photogenerated charge carriers. Under visible light irradiation, Cs 2 AgBiBr 6 /WO 3- x photocatalyst could effectively oxidize toluene toward benzaldehyde with a conversion rate of 9020 μmol g −1  h −1 , which was a 3.5-fold increase over that of the unmodified Cs 2 AgBiBr 6 . Graphical abstract

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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2026 · IF 3.9

Reaction Mechanism of Naphthalene and α-Tetradecene Alkylation over H-FAU Zeolite Revealed by In Situ DRIFTS

Leiting Kuai,Xuan Meng,Naiwang Liu,Li Shi

This study aims to elucidate the reaction mechanism of naphthalene alkylation with long-chain α-tetradecene (α-C14H28) over H-FAU zeolite, a reaction critical for producing high-value alkylated aromatics in industrial catalysis. By combining in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) with kinetic and thermodynamic analysis, this study quantitatively tracks the evolution of four key carbocation intermediates formed on distinct Brønsted acid sites and identifies the Wheland-intermediate-forming step as rate-determining. For the first time, adsorption and diffusion analysis, reaction kinetics, and comprehensive catalyst characterization (XRD, NH3-TPD, pyridine-IR) are integrated to establish a complete mechanistic pathway. The results reveal how pore confinement and acid-site distribution govern intermediate evolution and overall activity, thereby offering a validated model for the rational design of selective and stable zeolite catalysts for continuous alkylation processes.

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Journal of Magnesium and Alloys · 2026 · IF 15.8

Multifunctional Mo4/3B2-x MBene for high hydrogen storage performance in the Li–Mg–N–H system

Haoyuan Zheng,Hua Ning,Chen Jin,Shuzhong Wang,Yadong Wang,Shixuan He,Haizhen Liu,Xinhua Wang

The magnesium-based hydrogen storage composite system Li–Mg–N–H (Mg(NH 2 ) 2 –2LiH) has attracted considerable attention due to its moderate operating temperature and high reversible capacity of 5.6 wt%, but its sluggish hydrogen absorption/desorption kinetics and poor cycling stability limit practical applications. Introducing an efficient catalyst is key to overcoming these issues. Herein, for the first time, an MBene material is introduced into a solid-state hydrogen storage system. Mo 4/3 B 2- x with a flower-like structure is successfully prepared by selective etching of the MAB phase (Mo 4/3 Y 2/3 AlB 2 ) and is then added as a catalyst into the Mg(NH 2 ) 2 –2LiH system. The improving effect and the underlying mechanism on hydrogen storage performance are systematically investigated. The results show that the composite with 10 wt% Mo 4/3 B 2- x exhibits optimal comprehensive performance. The onset temperatures for hydrogen absorption and desorption are significantly reduced from 110/130°C to 65/106°C, respectively. The hydrogen absorption/desorption capacities exceed 4.7 wt% under isothermal conditions at 180°C/170°C, and the apparent activation energy for hydrogen desorption decreases from 117.0 kJ/mol to 87.5 kJ/mol. Remarkably, after 100 cycles, the reversible capacity remains above 4.47 wt%, demonstrating excellent cycling stability. Mechanistic studies combined with DFT calculations reveal that the flower-like Mo 4/3 B 2- x dissociates into fine petals and becomes highly dispersed in the matrix during ball milling. The interaction between the catalyst and the matrix effectively weakens the N–H and Mg–N bonds and promotes the retention of the cubic phase Li 2 MgN 2 H 2 in the hydrogen desorption product, which is more favorable for rehydrogenation. Meanwhile, abundant boron vacancies in the catalyst structure provide fast diffusion channels for hydrogen atoms, and the highly dispersed nano-petals effectively separate the matrix particles, collectively enhancing the kinetics and cycling performance. This work opens a new direction for the application of MBene materials in solid-state hydrogen storage and provides a new strategy for the rational design of high-performance hydrogen storage catalysts.

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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2025 · IF 3.9

Cu-Lignin Enhanced Hydrogel Supercapacitor Simultaneously Achieves Ultrahigh Energy and Power Density via H+/Cu+ Cooperative Transport

Hongzhao Song,Rong Chen,Qin Yang,Junping Ma,Lijun Chen,Yumei Huang

Designing and fabricating hydrogel supercapacitors (SCs) with ultrahigh energy and power densities and multienvironmental adaptability remains challenging due to the inherent conflict between “ion transport kinetics” and “charge storage capacity.” Herein, a metal phenolic network was formed using lignin catalyzed by Cu2+ ions and reinforced with phytic acid (PA)-cross-linked poly(acrylic acid) to develop a hydrogel electrolyte with homogeneous ion diffusion channels. Then, a polyaniline (PANI) electrode layer was grown in situ on the surface of the electrolyte to construct an integrated hydrogel SC with ultrahigh energy and power densities (the maximum energy and power densities were 1027.91 μWh cm–2 and 3002.42 μW cm–2, respectively, at a current density of 2 mA cm–2, and the capacitance retention ratio was 95.6% after 5000 cycles). Phytate-chelated Cu2+ ions undergoes redox competition with lignin, producing Cu+ ions with low electrostatic binding. These ions can then act synergistically with H+ ions to magnify the system’s charge storage capacity. Additionally, abundant hydrogen bonding and electrostatic interactions provide the PANI conductive layer with more charge adsorption sites whereas the uniform network structure provides optimal ion diffusion channels. Furthermore, the capacitor exhibits favorable capacitance output across various temperatures and humidity levels. Notably, the pigskin covered by this SC exhibits excellent flame-retardant properties when exposed to a butane flame, with a surface temperature of 34.8 °C. This work advances the practical application of hydrogel SCs for flexible energy storage.

CAS / MDL: 10031-43-3 8061-51-6
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2011 · IF 2.13

A 1,8-naphthalimide group modified magnetic silica nanoparticles INHIBIT logic gate with H+ and F− as inputs

Xin Tian,Zhengping Dong,Yifan Huang,Jiantai Ma

In this work, molecular logic element modified multifunctional silica nanoparticles having high magnetization have been successfully prepared. These multifunctional nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), Elementary analysis, X-ray powder diffraction (XRD) and Vibrating sample magnetometer (VSM). The characterization datum indicated that the organic ligand was successfully grafted on the surface of the magnetic silica nanoparticles . The fluorescent changes of the hybrid material upon the addition of cations (H + , F − and their mixture) is utilized as an INHIBIT logic gate at the molecular level, using the fluorescence intensity signal as output.

研究领域: 纳米医学 · 生物传感器 · 分子诊断 · 化学生物学 · 智能材料
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