ACTA PHYSICO-CHIMICA SINICA
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2026
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IF 13.5
Sijia Wang,Wen-Cui Li,Rui-Ping Zhang,An-Hui Lu
The selective hydrogenation of alkynols to alkenols is an industrially important route to fine chemicals, yet competing over-hydrogenation pathways make it challenging to maintain alkenol selectivity at high conversion. Herein, we report an ultrathin two-dimensional porous carbon support with a thickness of 13 nm and an aspect ratio of up to 615. Compared with conventional bulk carbon supports, this two-dimensional architecture provides a larger externally accessible surface area, thereby promoting Pd dispersion and facilitating liquid-phase molecular diffusion. The resulting Pd catalyst achieves an exceptional reaction rate of 28617 mol mol Pd −1 h −1 for the semihydrogenation of 2-methyl-3-butyn-2-ol under mild conditions (298 K, 0.2 MPa H 2 ), representing a 31-fold enhancement relative to the commercial Lindlar catalyst, while maintaining 93% selectivity at 99% conversion. Moreover, the catalyst exhibits good stability over five consecutive cycles, with no detectable Pd agglomeration or leaching. This work highlights dimension control of carbon supports as an effective strategy to enhance external surface accessibility, offering new insights into the design of high-performance semihydrogenation catalysts. Download: Download high-res image (220KB) Download: Download full-size image Two-dimensional porous carbon supports promote Pd dispersion and molecular diffusion for efficient semihydrogenation of 2-methyl-3-butyn-2-ol.
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MICROCHEMICAL JOURNAL
·
2026
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IF 5.2
Xiaofang Liu,Guangli Luo,Fan Shi,Qun Wang,Fei Deng,Jingzhou Hou,Danqun Huo,Changjun Hou
DNAzyme-driven DNA walker combined with bimetallic nanozyme for synergistic signal amplification in an electrochemical biosensor. • Enzyme-free and Zn 2+ -dependent operation, which simplifies the assay workflow and enhances robustness. • Quantitative release of nanozymes triggered by target-induced DNA cleavage, enabling highly sensitive and specific detection. Early and accurate detection of breast cancer is essential for improving patient prognosis. Carbohydrate antigen 15-3 (CA15-3) is a key serum biomarker used in clinical monitoring, yet its low abundance in early stages requires highly sensitive detection methods. Herein, we report an electrochemical biosensor that synergistically integrates a DNAzyme-driven DNA walker with bimetallic MnAu nanozymes for CA15-3 detection. Target recognition activates the DNAzyme walker, which progressively cleaves substrate strands and releases MnAuNP signal probes from the electrode surface. This process attenuates the nanozyme-catalyzed electrochemical signal for quantitative analysis. The core-shell MnAuNP provides robust oxidase-like activity, while the DNA walker enables efficient enzyme-free signal amplification. This synergistic amplification strategy achieves a wide linear range (0.05 U/mL–200 U/mL) and a low limit of detection (LOD) of 0.0017 U/mL with excellent selectivity. Satisfactory recovery rates (97.58–105.35%) in human serum confirm clinical potential. This work presents a novel strategy for breast cancer biomarker detection by combining DNA walker with nanozyme catalysis amplification, demonstrating promising potential for point-of-care breast cancer diagnostics. Download: Download high-res image (133KB) Download: Download full-size image
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APPLIED SURFACE SCIENCE
·
2026
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IF 6.6
Huan Yang,Zishuo Ni,Xian Zhang,Qun Li,Zhongnian Yang
N, S co-doped carbon coated 3D porous Mn 0.5 Ti 2 (PO 4 ) 3 was fabricated via fulvic acid pyrolysis. • The carbon layer synergistically enhances electronic conductivity and Li + diffusion kinetics. • The designed composite anode revealed outstanding rate capability. NASICON-structured Mn 0.5 Ti 2 (PO 4 ) 3 (MTP) has emerged as a competitive anode candidate for lithium-ion batteries (LIBs), benefiting from its abundant lattice vacancies, robust structural integrity, and suitable operating voltage. Nevertheless, the practical scalability is constrained by intrinsically low electronic conductivity. Herein, fulvic acid (FA) is employed as a carbon precursor to composite with MTP via high-temperature carbonization, aiming to optimize the electrochemical performance of MTP. Electrochemical tests reveal that the composite with FA/MTP weight ratio of 0.30 carbonized at 800℃ achieves enhanced cycling stability and rate capability, delivering lithiation capacities of 391.4 and 198.9 mAh g −1 at 0.1 and 1.6 A g −1 , respectively. The superior performance is attributed to the formation of uniform N, S co-doped carbon coating layer derived from in-situ carbonization of FA. N, S co-doping not only facilitates rapid electron transport and buffers volume changes during repeated lithiation/delithiation but also introduces additional active sites for lithium storage. Simultaneously, the incorporation of a co-doped carbon layer on MTP improves the binding affinity with MTP, thereby conferring outstanding structural durability and electrical conductivity of the composite. This work provides a simple and effective strategy for utilizing natural biomass derivatives to improve the electrochemical performance of polyanionic compounds for advanced LIB anodes. Download: Download high-res image (150KB) Download: Download full-size image
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TOXICOLOGY AND APPLIED PHARMACOLOGY
·
2026
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IF 3.6
Chengshuang Pan,Jingjing Li,Fuhong Tian,Chentao Ding,Shaowei Wang,Ren-shan Ge,Qianjin Fei,Yang Zhu
Per - and polyfluoroalkyl substances (PFAS) are a group of synthetic chemicals as carboxylic acid (PFCA) and sulfonic acid (PFSA) found in everyday products, from non-stick cookware to waterproof clothing, and are potential endocrine disruptors. However, whether they inhibit 17β-hydroxysteroid dehydrogenase 3 (17β-HSD3) and structure-activity relationship (SAR) and mode of action remains unclear. In this study, we screened 18 PFAS (11 PFCAs and 7 PFSAs) with different carbon-chain lengths from C4 to C14 to inhibit human and rat 17β-HSD3 from HSD17B3 -overexpressed LNCaP cells and rat testicular microsomes. Of the 11 PFCAs, 6 compounds significantly inhibited human 17β-HSD3, with IC 50 values ranging from 5.36 (C10) to 145.15 μM (C8) and a V-shaped turn at C10, and of the 7 PFSAs, only perfluorooctanesulfonic acid markedly inhibited this enzyme (IC 50 , 5.87 μM). Of the 18 PFAS, only 6 PFCAs inhibited rat 17β-HSD3, with IC 50 values ranging from 14.2 (C10) to no inhibition at 100 μM (C8). These PFAS are mixed/noncompetitive inhibitors of human and rat 17β-HSD3 enzymes. Molecular docking studies suggest that the degree of inhibition is linked to the carbon-chain length of the PFAS molecule. 3D-QSAR indicates that structural hydrophobic regions determine the inhibitory potency up to C10 (PFDA). Our in vitro observation of 17β-HSD3 inhibition represents a putative upstream mechanistic factor that may contribute to elevated reproductive dysfunction and hypogonadism risk reported in existing human epidemiological PFAS exposure cohorts. In conclusion, PFAS inhibit human and rat 17β-HSD3 with clear SAR and carbon-chain length determines their inhibitory potency, and C10 PFCA is the most potent inhibitor of human and rat 17β-HSD3.
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BIOTECHNOLOGY AND BIOENGINEERING
·
2026
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IF 3.9
Teng-Kun Huang,Cen Huang,Du Wu,Shuang Li,Ren-Chao Zheng,Xiao-Ling Tang,Yu-Guo Zheng
( R )-3-Aminobutanol is a valuable chiral amino alcohol widely used in the pharmaceutical industry. The amine dehydrogenase (AmDH)-catalyzed synthesis with inorganic ammonia as the amine donor represents one of the most promising routes for its production. However, this approach is limited by the low catalytic efficiency of AmDHs toward the unnatural substrate 4-hydroxy-2-butanone, as well as the high cost associated with coenzyme requirements. To address these issues, a structure-guided engineering strategy integrating loop remodeling with dynamically coupled network analysis was employed to modify an AmDH derived from leucine dehydrogenase ( GKGB -AmDH). A pentamutant was obtained with a 7.8-fold increase in catalytic efficiency ( k cat / K m ) and a 6.8-fold increase in specific activity. Molecular dynamics simulations were performed to elucidate the molecular mechanism underlying the improved catalytic performance. A dual − enzyme co-expression system for GKGB -AmDH-M5 and formate dehydrogenase (FDH) was established for in situ NADH regeneration. As a result, the catalytic efficiency toward 4-hydroxy-2-butanone was enhanced, and the conversion reached 83.8% at a substrate concentration of 300 mM, with an enantiomeric excess ( e.e .) of > 99.99%. These results demonstrate the feasibility of this engineering strategy and provide a theoretical basis for the efficient and green biomanufacturing of chiral amino alcohols.
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CNS Neuroscience & Therapeutics
·
2026
·Vol. 32
·期 7
·e71058
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IF 6.6
Chenglong Li,Xi Gou,Yingying Zhao,Lina Zhang,Shuai Liu,Shenhui Deng,Qi Li,Sihua Qi
Aims This study investigates whether histone H3K18 lactylation (H3K18la) contributes to perioperative neurocognitive disorders (PND) by upregulating immune checkpoint Lymphocyte activation gene 3 (Lag3) and microglial pyroptosis, thereby aggravating neuroinflammation in the hippocampus. Methods Lactate levels and H3K18la expression were measured in mouse hippocampus after surgery. H3K18la downstream targets were identified by CUT&Tag and RNA-seq. After Lag3 silencing in BV2 cells, downstream pathways were screened and validated by RNA-seq and in vitro assays. Glycolysis inhibitors and Lag3 antibody were used to assess cognitive function and pyroptosis-related protein expression in postoperative mice. Results Surgery significantly elevated hippocampal lactate and H3K18la levels in mice. Inhibiting glycolysis led to a reduction in H3K18la and mitigated cognitive impairments in the PND model mice. CUT&Tag and RNA-seq revealed that H3K18la transcriptionally activates Lag3 by enriching at its promoter, and Lag3 blockade improved postoperative cognition. Furthermore, Lag3 upregulation triggered microglial pyroptosis via NOD-like receptor protein 3 (NLRP3) signaling, thereby aggravating neuroinflammation and promoting PND. Conclusions Surgical trauma-induced increase of H3K18la in microglia promotes PND by upregulating Lag3 and triggering NLRP3-dependent microglial pyroptosis, highlighting the H3K18la–Lag3–NLRP3 axis as a therapeutic target for PND.
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CHINESE JOURNAL OF CHEMISTRY
·
2025
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IF 5.5
Shaohua Liu,Xiaoqin Ma,Xifa Long,Yun Yang
Comprehensive Summary Birefringent crystals exhibit significant advantages in the field of polarization state modulation due to their unique optical anisotropy properties. The property optimization between bandgap and birefringence depends on the crystal structure, which is always a key scientific problem in the field of functional crystal materials design. In this work, the fluorination-oriented strategy was applied to the design of crystals with large birefringence and deep ultraviolet (DUV) cutoff edges. By introducing the fluorinated [SiF 6 ] octahedron, the arrangement orientation of the π-conjugated [C(NH 2 ) 3 ] groups was accurately regulated, thereby achieving the design and preparation of a new crystal [C(NH 2 ) 3 ] 2 SiF 6 with a large bandgap (6.34 eV) and large birefringence (0.16 @546 nm). In addition, [C(NH 2 ) 3 ] 2 SiF 6 (GSF) can obtain large-sized crystals through a simple water solution evaporation method, and it has unique advantages such as low cost and easy growth. The synergistic mechanism between the core factors of significant birefringence and wide bandgap in [C(NH 2 ) 3 ] 2 SiF 6 was revealed through experimental characterization and theoretical calculation. This work provides promising candidates with exceptional properties for DUV applications.
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CHIRALITY
·
2025
·Vol. 37
·期 7
·e70043
·
IF 3
Min Wei,Yinxin Yang,Ruoxi Huang,Linxu Dong,Haikuan Yuan,Lijuan Zhang,Jie Lu
In this work, a novel pair of chiral ionic liquids (CILs) based on cis- and trans-myrtanol was designed, synthesized, and applied in the enantioselective liquid–liquid extraction (LLE) of DL-3-phenyllactic acid (DL-3-PLA). DL-3-PLA, a naturally occurring broad-spectrum antimicrobial compound, exhibits distinct biological activities in its enantiomeric forms, making its separation of significant interest for pharmaceutical and food applications. The CILs were synthesized starting from (1S)-(−)-β-pinene via oxidative hydroboration, followed by subsequent functional group modifications, and were fully characterized using 1 H NMR, FTIR, DSC, and TGA. Optimization of the LLE parameters (0.10-M CILs in n-octanol, 0.10-M DL-3-PLA in water, pH 6.8, 298.15 K) yielded a single-stage enantiomeric excess ( ee ) of 15.68%. Using five consecutive extractions with the trans-CILs isomer, a cumulative ee of 95.18% was achieved. Quantum mechanical calculations, including electrostatic potential analysis, IGMH isosurface mapping, and binding energy evaluations, revealed that both the cis- and trans-CILs isomers exhibited strong chiral recognition toward D-3-PLA, with the trans-CILs isomer showing superior recognition performance compared to the cis-CILs isomer. These results underscore the potential of the designed CILs as effective chiral selectors for the DL-3-PLA separation and provide a promising strategy for practical applications in enantioselective separations.
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ACS Nano
·
2026
·
IF 16
Jingjing Hou,Shizhong Lv,Jian Liu,Jiaji Tang,Yuwei Wang,Lirui Liu,Zaohui He,Gang Sun,Ai-Min Lv,Liang Deng,Yunlong Zhang,Lei Zhao,Zhenbo Wang
Sodium-ion batteries hold promise for grid-scale energy storage thanks to abundant resources and superior safety, but their wide-temperature operation is hindered by sluggish electronic–ionic transport and structural instability of cathode materials. Herein, a cation-intermixing strategy driven by stoichiometric regulation is proposed for Na2+2xFe2–x(SO4)3 cathodes, which can simultaneously enhance structural stability, improve charge transfer, and facilitate Na+ transport kinetics. Specifically, derived Fe vacancies and concomitant Na+ insertion reconstruct the electronic environment, strengthening Fe–O bonds to stabilize the crystal framework while optimizing Fe 3d electron energy level distribution to facilitate charge transfer. This alteration concurrently widens Na+ migration channels and reduces diffusion barriers, enabling rapid ion transport. Consequently, the Na2.48Fe1.76(SO4)3 cathode (x = 0.24 in Na2+2xFe2–x(SO4)3, with a Na/Fe molar ratio of 1.4) with optimal cation intermixing exhibits exceptional wide-temperature performance. It delivers 85.9% capacity retention following 3000 cycles at 30 C (25 °C) and 88.3% following 4000 cycles at 1 C (−20 °C). Even at an ultrahigh 100 C (60 °C), it still retains 83.2% relative to its capacity measured at 25 °C and 0.1 C. This work provides a stoichiometry-driven approach to designing superior-performance sulfate-based cathodes for wide-temperature sodium-ion batteries.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2026
·
IF 6.2
Bohang Zhou,Qi Zhang,Yiwei Wang,Congwei Zhou,Qingli Song,Le Zhou
Developing agricultural fungicides from natural compounds is a popular trend. In the present study, a series of the derivatives of natural ethyl 3-phenyl-2,3-dibromopropionate were synthesized and investigated for antifungal activity, SAR, and action mode. The results found that the compounds possessed outstanding inhibition activity against nine phytopathogenic fungi at 50 μg/mL. Notably, ethyl 3-(4-trifluoromethylphenyl)-2,3-dibromopropionate (2l) had an in vitro EC50 of 1.78–4.82 μg/mL and 89.7% control efficacy against A. solani on tomato fruits at 300 μg/mL and on the ninth day, it was comparable to azoxystrobin. Meanwhile, 2l did not affect the germination rate of plant seeds at 200 μg/mL. The research on the action mode revealed that 2l disrupted mycelial morphology and cellular ultrastructure, increased the ROS level, and altered MMP and membrane permeability. Additionally, the SAR was deduced and explained via LUMO/HOMO/MEP analyses. The results make these derivatives promising leads for novel agricultural fungicides.
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PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
·
2017
·
IF 0.809
Jin Luo,Anlin Zhao,Caihua Zheng,Tao Wang
GRAPHICAL Display full size
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FOOD CHEMISTRY
·
2026
·
IF 9.8
Yijin Peng,Wenhui Zou,Qisheng Yue,Yunxia Yang,Zhenzhen Xu,Zhongxiang Fang,Linyan Zhou
This study investigated the copigmentation mechanism between punicalagin (PUN) and cyanidin-3-O-glucoside (C3G) using spectroscopic analysis, thermodynamic evaluation, and quantum chemical modeling. UV-VIS spectra revealed enhanced absorbance and red shifts upon increasing PUN concentration to the C3G solution, indicating intensified color. Copigmentation was most effective at acidic pH (3–6) and declined at higher temperatures. Thermodynamic parameters indicated a spontaneous, exothermic interaction between PUN and C3G, involving hydrogen bonding and π–π stacking. FT-IR, 1 H NMR, and IGMH analyses confirmed these interactions and revealed that α -PUN formed more stable complexes with C3G than β -PUN, due to cooperative aromatic-polar interactions and more favorable stacking geometry. Quantum calculations supported the greater stability of α -C3G/PUN complexes. Furthermore, PUN significantly improved the thermal, light, and storage stability of C3G. These findings provide molecular-level insights into anthocyanin-ellagitannin copigmentation and demonstrate the potential of PUN as a natural copigment for improving color stability in food systems.
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