BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
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2015
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IF 2.297
Xuping Wang,Qingyun Tang,Grzegorz Maria Popowicz,Bo Yang,Yonghua Wang
More and more industrial chemistry reactions rely on green technologies. Enzymes are finding increasing use in diverse chemical processes. Epoxidized vegetable oils have recently found applications as plasticizers and additives for PVC production. We report here an unusual activity of the Malassezia globosa lipase (SMG1) that is able to catalyze epoxidation of alkenes. SMG1 catalyzes formation of peroxides from long chain carboxylic acids that subsequently react with double bonds of alkenes to produce epoxides. The SMG1 is selective towards carboxylic acids and active also as a mutant lacking hydrolase activity. Moreover we present previously unobserved mechanism of catalysis that does not rely on acyl–substrate complex nor tetrahedral intermediate. Since SMG1 lipase is activated by allosteric change upon binding to the lipophilic–hydrophilic phase interface we reason that it can be used to drive the epoxidation in the lipophilic phase exclusively.
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JOURNAL OF MEMBRANE SCIENCE
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2025
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IF 9
Heyang Liu,Shichen Zeng,Zhenyang Li,Da Zhang,Xu Liang,Hanze Ma,Jianyu Wang,Qianfeng Pan,Jinyue Wang,Jingqi Fu,Guangwei He,Zhongyi Jiang
Covalent organic framework (COF) materials exhibit considerable potential for membrane separation applications due to their long-range ordered pore structures, tunable pore chemical microenvironments, and excellent thermochemical stability. However, the intrinsic pore sizes of COF materials often exceed the kinetic diameters of target gas molecules, thereby limiting their efficacy in gas separation. In this study, we present a strategy for the functionalization of ionic COF nanosheets using ionic liquids. The immobilization of ionic liquids within the pores and interlayers of ionic COF nanosheets was accomplished through a straightforward physical blending method, which leverages the electrostatic interactions between the abundant charged groups from the ionic COF nanosheets and the ionic liquids. Subsequently, we prepared CO 2 separation membranes with a thickness of less than 100 nm. The resulting COF membranes demonstrated excellent separation performance with a CO 2 permeance of up to 1116 GPU and a CO 2 /N 2 selectivity of 20.3 as well as good stability. This study offers a simple and effective approach for developing high-performance COF membranes for carbon capture.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2025
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IF 6.2
Run Liu,Qi Zhou,Yi Zhang,Yuanzhi Xu,Zhonghui Liu,Kheng-Lim Goh,Vladimir Zivkovic,Mingming Zheng
Enzymatic synthesis of flavor esters is widely used in the food and flavor industries, but challenges remain in improving the catalytic efficiency and stability of biocatalysts. This study evaluates the performance of a novel biocatalyst, CALB@DMSN-C8, formed by immobilizing Candida antarctica lipase B (CALB) on hydrophobic dendritic mesoporous silica nanospheres (DMSN-C8), for synthesizing flavor esters. The CALB@DMSN-C8 catalyst achieves a caproic acid conversion rate of 98.5 ± 0.5% in just 30 min and demonstrates outstanding thermal stability, retaining a high conversion efficiency over 20 reuse cycles. To our knowledge, this study represents the most efficient synthesis of flavor esters, including ethyl valerate, ethyl caproate, ethyl heptanoate, and ethyl caprylate, compared to studies in the existing literature. Analysis of aroma characteristics and molecular docking simulations revealed the typical flavor profiles and synthesis mechanisms of various mellow esters. This study develops an innovative strategy by using self-made immobilized lipases to catalyze the production of flavor esters with potential applications in food and cosmetics.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2012
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IF 2.823
Xiao-Li Qin,Bo Yang,Hui-Hua Huang,Yong-Hua Wang
Tripalmitin-enriched triacylglycerols were concentrated from palm stearin by acetone fractionation and as the substrate reacted with a mixture of equimolar quantities of fatty acids (C8:0–C18:3). The incorporation degree and acyl migration level of the fatty acids and acylglycerols composition were investigated, providing helpful information for the production of human milk fat substitutes. Higher incorporation degrees of the fatty acids were obtained with lipase PS IM, Lipozyme TL IM, and Lipozyme RM IM followed by porcine pancreatic lipase and Novozym 435-catalyzed acidolysis. During reactions catalyzed by Lipozyme TL IM, Lipozyme RM IM, and lipase PS IM, incorporation degrees of C12:0, C14:0, C18:1, and C18:2 were higher than those of other fatty acids at operated variables (molar ratio, temperature, and time), and the triacylglycerols content reached the highest (82.09%) via Lipozyme RM IM-catalyzed acidolysis. On the basis of significantly different levels of acyl migration to the sn-2 position, lipases were in the order of lipase PS IM < Lipozyme TL IM < Lipozyme RM IM.
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INDUSTRIAL CROPS AND PRODUCTS
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2025
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IF 6.2
Lijia Jia,Liying Zhang,Zhenghan Cai,Feng Zhu,Biao Huang,Qilin Lu
Integrating superior flexibility, conductivity, energy harvesting and broad working temperatures into cellulose hydrogel for deformable energy storage and self-powered sensors has become urgent. Herein, an ultra-flexible anti-freezing conductive versatile hydrogel is developed via synchronously regulating polyvinyl alcohol (PVA) with cellulose nanocrystals (CNCs) and covalent organic frameworks (COFs) to form a multiple hydrogen-bonded ordered network under phytic acid (PA) crosslinking synergy. Introducing COFs into hydrogel network provides continuous protons transport channel while PA generates protons and permanently secures the hierarchical structure of hydrogel, and thus endowing the hydrogel with exceptional proton conductivity (2.46 S/m), ultra-flexibility (tensile strain of 725 %), and outstanding antifreeze conductivity (withstand −40 °C). With these attributes, the hydrogel assembled supercapacitor exhibits stable energy storage capacity (84.7 mF/cm²) and bending resilience (endure bending angles of 180°), whereas the hydrogel-based triboelectric nanogenerator (TENG) presents excellent electrical output performance. Moreover, the designed hydrogel strain sensor demonstrates high sensing sensitivity, enabling stable monitoring of various joint movements and subtle facial expressions. Overall, this study presents a promising approach for designing biomass-based versatile hydrogels with outstanding mechanical performance and energy harvesting and storage functionality for emerging applications in self-powered flexible sensors.
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Advanced Optical Materials
·
2025
·Vol. 13
·期 8
·2402764
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IF 7.2
Jiaxiang Wang,Zunxian Yang,Ye Chen,Hui Zhang,Yue Chen,Yuting Bai,Xudong Jiang,Benfang Liu,Jiajie Hong,Zhezhou Fang,Jinzhu Gao,Zheyu Zhou,Runsen Yu,Xuanyao Song,Zhiyu Yuan,Tailiang Guo,Fushan Li,Yongyi Chen,Zhenzhen Weng
Perovskite quantum dots (PQDs) have emerged as promising candidates for next-generation high-quality lighting and high-definition displays due to their outstanding luminescence properties, characterized by a narrow emission spectrum and tunable color. However, during the purification process involving polar solvents, ligand detachment from the quantum dot surface often induces crystal defects, thereby compromising their long-term stability. Herein, the effects of various post-processing strategies on PQD performance are systematically explored, including the use of oleic acid (OA), didodecyldimethylammonium bromide (DDAB), and their combinations, alongside OA-assisted synthesis. Furthermore, a synergistic post-processing strategy based on DDAB-NaMeS (sodium methanesulfonate) is proposed to elucidate the mechanism of ligand reconstruction on the quantum dot surface during purification. The resulting PQDs demonstrated excellent stability over a storage period exceeding one month, and the corresponding Quantum Dots Light-Emitting Diodes (QLEDs) achieved a peak external quantum efficiency (EQE) of 9.82%, representing a 1.91-fold improvement over standard devices. These QLEDs exhibited exceptional optoelectronic performance, underscoring their potential for application in other sulfonic acid ligands and perovskite-based materials.
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Advanced Science
·
2025
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IF 14.1
Jiantao Meng,Yuan Su,Hang Zhu,Jie Zhang,Ting Cai
Thermally responsive molecular crystals exhibiting programmable mechanical motions hold significant promise for applications in smart actuators, sensors, and drug delivery systems. However, achieving precise control over their phase transition thermodynamics remains a fundamental challenge. A series of isomorphic 5-fluorocytosine/fatty acid cocrystals is reported where the phase transition temperatures vary across an interval of 100 K with increasing alkyl chain. Two distinct transition pathways are unveiled: i) a cooperative single-crystal-to-single-crystal transition (II-III) accompanied by explosive mechanical motions, and ii) a reconstructive transition (I-III) following classical nucleation-growth mechanisms. The cooperative phase transition (II-III) induces remarkable expansion, with a striking +64.4% expansion along the layer stacking direction and a −16.9% contraction perpendicular to the (001) plane, leading to dynamic phenomena such as jumping, rotating, and splitting. Notably, the transition temperatures ( T t, II-III ) exhibit linear dependence on coformer chain length (from C10 to C18), a correlation attributed to interlayer hydrophobic interactions. This work provides a versatile approach for designing molecular crystals with tunable thermo-mechanical properties, offering new opportunities for advanced applications in dynamic functional materials.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2025
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IF 8.5
Ting Feng,Haoxian Huang,Ying Xu,Xinyu Che,Mingdong Wang,Xiangyu Tao,Yanbin Feng,Song Xue
The evolution of enzymes through multisite combinations is often constrained by the dynamic correlations among residues, resulting in the challenge of achieving additive effects when combining single-site positive mutants. Nevertheless, the incorporation of distal-site residue mutants offers a promising avenue to unlock synergistic interactions, particularly in enzymes with channels that mediate substrate and product transport. While combinatorial mutagenesis typically requires exhaustive screening of extensive mutant libraries to identify superior variants. In this study, a multisite combination strategy using dynamic cross-correlation matrices (DCCM) iterative analysis, coupled with location orthogonal filtration (DCCM/OL) was established based on single-site mutants enhancing enzyme performance by engineering distal residues using the “Structure, SCANEER, and Sequence (3S)” approach. Thirteen beneficial single mutants of oleate hydratase from Staphylococcus aureus (SaOhy), which catalyzes the hydration of linoleic acid, were targeted using the “3S” approach. By employing the DCCM/OL strategy, the number of candidates in the combination mutation library for experimental screening were reduced from 60 to 5. And a triple-site mutant, SaOhy_L151V/I411L/V135A, was ultimately identified, which increased the catalytic efficiencies with linoleic acid and oleic acid by a 4- and 2.3-fold, respectively. The philosophy of multisite mutation based on distal residues using the DCCM/OL strategy effectively achieves an amplification of enzymatic activity with distinct substrates simultaneously. This study offers a promising strategy for the construction of a mutant smart library and multisite combinations to efficiently increase enzymatic performance.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2025
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IF 9
Xintong Li,Xiaoya Li,Xin Ma,Zhanfang Cao,Hong Zhong,Shuai Wang
Manganese is a critical metal with widespread applications. The increasing demand for manganese, driven by the rapid growth of the electric vehicle and new energy sectors, has underscored the need for efficient separation and purification technologies, particularly from low-grade ores with high content of impurities. This study applies machine learning (ML) −driven quantitative structure–activity relationship (QSAR) modeling to investigate the Mn 2+ and Mg 2+ separation performance of 14 extractants. Key molecular descriptors were identified through principal component analysis and clustering heatmap method, and QSAR models were developed using ordinary least squares, nonlinear model, artificial neural network, random forest, and extreme gradient boosting (XGBoost) tree. The XGBoost model exhibited superior predictive accuracy for Mn 2+ and Mg 2+ extraction efficiencies and Mn 2+ /Mg 2+ separation selectivity. Feature importance analysis revealed that molecular properties related to hydrophilicity, electronic characteristics, and steric hindrance, as reflected by descriptors such as Clog P, OAV, Nonpolar S, VIP, Max P, and EI, play decisive roles in governing extraction efficiency and separation performance. Further NCI analysis demonstrated that the C–OH group of one α -hydroxyalkyl phosphinic acid ( α -HA) molecule forms a hydrogen bond with the C–OH group of another α -HA molecule, which likely accounts for the tendency of α -HA molecules to form dimers during solvent extraction. This interaction modulates the spatial arrangement of P–OH and P=O groups, enhancing both Mn 2+ extraction efficiency and Mn 2+ /Mg 2+ separation selectivity. These findings underscore the value of ML-driven QSAR modeling in predicting extractant performance, offering new mechanistic insights into Mn 2+ /Mg 2+ separation, and informing the development of novel extractants.
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CHEMICAL ENGINEERING SCIENCE
·
2025
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IF 4.3
Ping Li,Ao Min,Xiaojun Zhao,Xu Li,Ziqi Chen,Jiawei Zhu,Qinhe Pan
Covalent organic framework nanosheets (CONs) have become intriguing nanoscale building blocks for proton transport due to tunable pore parameters and facile film-forming properties. However, insufficient interlamellar linkages among CONs bring some sacrifice in integrity and compactness on CONs membranes. Also, it remains elusive to establish direct correlations between pore nanostructure and proton conductivity. Herein, three sulfonated CONs with similar skeletons but different pore microstructures are synthesized and restacked into intact sulfonated CONs-based composite membranes through the “bridge effect” of aramid nanofibers (ANFs) exfoliated from macroscopic Kevlar fibers. The pore size, structural regularity, −SO 3 H groups distance/amount, flake thickness and lateral size of sulfonated CONs are adjusted by changing amine monomer/solvent types of interface polymerization reactions. ANFs-linked sulfonated CONs-based membranes (CONs as the primary components) harvest dense inner structure, decent sulfonation degree/surface hydrophilicity and desirable dimensional/mechanical/thermal/antioxidative/chemical stabilities. It is observed that − SO 3 H carrier distance, carrier concentration and pathway crystallinity have synergistic effects on H-bond proton migration networks constructed by tethered − SO 3 H and entrapped H 2 O within porous nanosheet-stacked channels. The optimal sulfonated CONs-based membrane affords superprotonic conductivity of 439 mS cm −1 (80 °C, 95 % RH). This work offers inspiration and guideline for designing function-oriented CONs and constructing well-integrated nanoporous transfer channels.
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ACS Applied Energy Materials
·
2025
·
IF 5.5
Yulong Liu,Huanyan Xu,Tianci Wang,Minghua Chen
The liquid electrolytes (LEs) in traditional lithium batteries present safety concerns. Solid polymer electrolytes (SPEs) have garnered increasing attention due to their nonvolatility, ease of processing, excellent mechanical properties, and stability. However, the performance of PEO-based solid-state batteries is often constrained by low ionic conductivity and poor mechanical strength. Therefore, we fabricated a nanofiber scaffold (PAN@UiO66) using electrospinning technology and then cast a solution containing zirconia (ZrO2) fillers and bis(trifluoromethane)sulfonimide (LiTFSI), dispersed in poly(ethylene oxide) (PEO), onto the electrospun PAN@UiO66 scaffold to obtain a composite solid polymer electrolyte (CSPE, PZ/PAN@UiO66). The synergistic effect of the PAN@UiO66 scaffold and zirconia creates an amorphous-enriched region in the CSPE, providing uniform and abundant Lewis acid–base interaction sites, which reduce the crystallinity of the PEO-based solid electrolyte and enhance the diffusion and migration of lithium ions within the polymer. The components were physically characterized and electrochemically tested by using Fourier-transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and energy-dispersive spectroscopy (EDS). The results indicate that the incorporation of PAN@UiO66 optimizes the lithium-ion transport behavior of PEO-based solid electrolytes and enhances their cycling stability. Specifically, at 60 °C, the lithium-ion transference number of the PAN@UiO66 nanofiber-enhanced composite solid polymer electrolyte (CSPE) increased from 0.20 to 0.40, the electrochemical voltage window expanded from 4.58 to 5.10 V, and the Li||Li symmetrical cell assembled with CSPE exhibited stable plating and stripping for over 670 h at a current density of 0.1 mA cm–2. The assembled LFP||Li coin cell delivered an initial discharge capacity of 149.81 mAh g–1 at 0.5C, with a capacity retention of 101.53% after 200 cycles. The LFP||Li pouch cell assembled with CSPE exhibited a discharge capacity of 113.21 mAh g–1 at 0.5C and stable cycling for 100 cycles, demonstrating the commercial potential of the composite solid-state electrolyte.
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Food Bioscience
·
2025
·
IF 5.9
Yuwei Liu,Yuting Wang,Ziyi Liu,Chang Li,Qiang Yu,Jianhua Xie,You Long,Qianzhu E,Yi Chen
Spice use in traditional braised He Bao carp (Cyprinus carpio) remains empirical, and its flavor-modulating mechanisms lacks scientific elucidation. This study elucidated the differential flavor-modulating mechanisms of four natural spices—Perilla frutescens, dried tangerine peel (Citrus reticulata), lemongrass (Cymbopogon citratus), and orange peel (Citrus sinensis). Aroma-active and taste-active compounds were characterized by GC–MS, GC–IMS, E-nose, E-tongue, and molecular docking. A total of 129 volatiles were identified, including 16 shared core compounds (e.g., benzaldehyde, nonanal, geraniol). Lemongrass group yielded the highest volatile content (110.34 mg/kg) with dominant citral, geraniol, citronellol, and eugenol, while orange peel group exhibited abundant D-limonene (9.93 mg/kg, OAV > 200). Perilla frutescens group suppressed fishy odor by reducing 1-octen-3-ol, and dried tangerine peel group enriched thymol and γ-terpinene, enhancing herbal-citrus notes. Molecular docking revealed stronger binding of key pleasant odorants (–4.4 to –5.1 kcal/mol) to OR1D2 receptors than off-flavor compounds. In taste evaluation, dried tangerine peel group and lemongrass group enhanced umami perception via increased Glu (≈1.09 g/100 g) and 5′-IMP (up to 258.7 mg/100 g). Overall, natural spices distinctly modulated aroma and taste, with lemongrass group and orange peel group producing complex aromatic profiles and dried tangerine peel group improving taste balance. These findings provide mechanistic insight and practical guidance for enhancing the flavor and standardization of traditional Jiangxi cuisine.
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