JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY
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2026
·
IF 3.1
Xiuling Wang,Shengnan Wang,Xia Xiao,Zihui Jin,Zhenwei Jiang,Biyu Wu,Pan Deng,Wenjin Xiao
Vitamin D deficiency (VDD) is common in type 2 diabetes mellitus (T2DM) and has been linked to dyslipidemia, but the specific lipids associated with low vitamin D status are not well defined. To address this, we sought to characterize lipidomic alterations associated with VDD in T2DM and describe the changes following vitamin D₂ (VD2) supplementation. Specifically, untargeted serum lipidomics with anthropometric and clinical measurements were performed in 219 adults with T2DM, classified as VDD (25(OH)D < 20 ng/mL; n = 138) or non-VDD (25(OH)D ≥ 20 ng/mL; n = 81). A subset of VDD participants (n = 20) completed a 3-month VD2 supplementation trial. Lipids were profiled by UHPLC-HRMS and analyzed in relation to metabolic and anthropometric measures. Our analysis identified 112 lipid species differentially expressed in VDD, characterized by reduced ether-linked phosphatidylcholines (EtherPCs) and elevated ceramide 16:0. EtherPCs showed negative correlation with HbA1c, BMI, as well as body fat, and positive associations with muscle mass and bone mineral content, whereas ceramides inversely associated with these metabolic indices. Following 3-month VD2 supplementation, increases in circulating 25(OH)D and reductions in HbA1c were observed, accompanied by changes on the targeted lipidome, including elevated EtherPCs and reduced ceramide profiles (Cer 20:0, Cer 22:0, Cer 16:0/24:0). In conclusion, VDD in T2DM is associated with a distinct lipidomic profile marked by EtherPCs depletion and ceramide accumulation. The observed lipidomic changes following VD2 supplementation suggest the presence of a VD2-responsive lipid signature, which may have potential implications for metabolic risk management in T2DM.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2026
·Vol. 65
·期 31
·16632-16643
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IF 3.9
Huang Heng,Yin ChunYu,Xia Tao,Zhou Yebin,Wan Dongchuang,Zhu Xiaofeng,Jiang Kaijun,Hu Rongrui,Xiang Zhenli,Ma Chaofan,Li Xiaonian,Lu Chunshan
Chlorinated volatile organic compounds (CVOCs) hydrodechlorination
is hindered by chlorine poisoning and the instability of monometallic
catalysts, limiting their practical application. In this work, long-range
ordered PdCu intermetallic compounds were synthesized via a microwave-assisted
method. Characterization confirmed that microwave treatment induced
strong Pd–Cu electronic interactions and lattice ordering,
thereby facilitating the formation of intermetallic phases. Catalytic
evaluations demonstrated that the PdCu/C-Ordered catalyst achieved
an ethane production rate of 4.47 mmol·g cat –1 ·h –1 at 300 ° C with an apparent activation
energy of 31.28 kJ/mol, while maintaining exceptional stability over
a 300 h continuous operation. Density functional theory (DFT) calculations
further elucidated that the intermetallic phase, characterized by
a d-band center positioned closer to the Fermi level, exhibited enhanced
reactant adsorption and activation capabilities. Concurrently, it
significantly lowered the HCl desorption energy barrier, thereby effectively
mitigating chlorine poisoning effects. This research provides a novel
pathway for the design of high-efficiency hydrodechlorination catalysts
based on the precise regulation of electronic structures.
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ACS Applied Materials & Interfaces
·
2025
·
IF 8.2
Junjie Hu,Yan Sang,Jingwei Xue,Rui Zhang,Lingmei Zhou,Ziqing Meng,Tianchen Ma,Lijuan Chen
Transition-metal phosphides (TMPs) are promising electrocatalysts for the hydrogen evolution reaction (HER), but their industrial-scale application is limited by sluggish water dissociation kinetics and insufficient active site exposure under alkaline conditions. Herein, we demonstrate orbital hybridization engineering in Ni5P4/NiCoP-1 heterostructures fabricated via controlled phosphorization and magnetically modulated electrodeposition (MME). COMSOL simulations, X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations reveal that the heterointerface activates covalent Ni/Co–P bonding through optimized d–p orbital hybridization, leading to favorable electron density redistribution and an upshifted d-band center (ΔE = 0.061 eV). These electronic modifications synergistically enhance OH– adsorption energetics and accelerate water dissociation kinetics. Simultaneously, the strengthened metal–phosphorus bonds endow exceptional corrosion resistance under chloride-rich seawater conditions. As a result, Ni5P4/NiCoP-1 achieves excellent HER performance, requiring ultralow overpotentials of 266 and 325 mV to achieve a current density of 1000 mA cm–2 in 1.0 M KOH and seawater at pH 14, respectively, while maintaining stable operation for 200 h. In a two-electrode electrolyzer, the system requires only 1.62 V to reach 100 mA cm–2 in urea-assisted alkaline seawater, surpassing most reported TMP-based catalysts. The practical applicability is further verified by successfully powering a hydrogen-powered prototype vehicle. This work not only provides mechanistic insights into interfacial electronic structure modulation via d–p orbital hybridization but also establishes MME as a universal approach for high-rate hydrogen production from alkaline freshwater and seawater.
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高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Huihui Liu,Yihan Liu,Zhongmu Han,Yufei Zhang,Mingming Zheng
Phosphatidylserine (PS) is a high-value phospholipid in functional foods and pharmaceuticals. However, the lack of a suitable biocatalytic system has limited the conversion efficiency. A novel Pickering interfacial biocatalysis (PIB) system has developed for converting phosphatidylcholine (PC) to PS in this work. Three immobilized enzyme carriers were synthesized by grafting different modifying groups onto hollow mesoporous silica particles (HMSP). The combination of NQ-62 and octyl-modified groups yielded the optimal immobilized enzyme, PLD@HMSP-N 3 /C 8 . It stabilized the water-in-oil Pickering emulsion and enhanced phospholipase D (PLD) stability via hydrogen bond interactions. Under optimized conditions, a PS conversion of 93.8 % was achieved within 20 min at 40 °C, achieving a catalytic efficiency (CE) of 372 mmol/(g·h). The immobilized PLD demonstrated markedly enhanced thermostability, pH resistance, and protease hydrolysis stability compared to its free and homologous series counterparts. Moreover, it retained 70.9 % of the PS conversion after 10 cycles of reuse.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2025
·
IF 9.7
Hui Su,Furong Ye,Siyi Zhang,Changcun Han,Jipeng Dong,Zhixin Dai,Xinguo Ma,Lei Ge
The sluggish anodic oxygen evolution reaction (OER) kinetics remains a critical bottleneck for sustainable hydrogen production via water electrolysis. Guided by Density Functional Theory (DFT) calculations, we engineered Fe-CoS 2 /Ni 3 S 4 dual-site catalysts where Co 3+ and Fe 3+ centers synergistically optimize p-d orbital hybridization to enhance OER kinetics. Operando analyses reveal Co 3+ as primary active sites facilitating rate-limiting OOH* → O 2 desorption with Gibbs free energy (ΔG) reduced by 0.94 eV, while Fe-induced electron delocalization lowers intermediate coupling barriers. Notably, the catalyst facilitates dynamic reconstruction, generating metastable Co 3+ species with optimized eg orbital occupancy (t 2 g 5 eg 1 configuration) and strengthened p-d hybridization via Fe-mediated charge transfer. This electronic synergy enables ultralow overpotentials of 156 mV (hydrogen evolution reaction HER) and 230 mV (OER) at 50 mA cm −2 , with a cell voltage of 1.48 V for overall water splitting at 10 mA cm −2 . The dual-site architecture simultaneously suppresses metal dissolution (<12 % after 20 h) while maintaining 89.2 % initial activity. This work establishes a dual-regulation strategy: atomic-level orbital engineering for OER intermediate optimization and dynamic surface reconstruction for HER-active phase stabilization, offering a paradigm for designing robust bifunctional electrocatalysts.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2025
·
IF 6.2
Hulin Qiu,Wenzhong Gong,Huilin Huang,Heng Guo,Zhizeng Gao,Lan Liu,Xinjian Yin
meso-Diaminopimelate dehydrogenase (DAPDH) holds considerable promise for D-amino acid synthesis but is limited by its low catalytic efficiency toward non-natural substrates. To address this, we present a Rosetta-driven evolution framework that enables the rapid tuning of DAPDH substrate specificity. This approach leverages Rosetta design to guide the construction of a smart-small mutant library, facilitating evolution in just one or two rounds with minimal screening (100–1,000 transformants), thus offering superior efficiency and cost-effectiveness. Using this strategy, the activities of two DAPDHs toward model substrates─benzoylformic acid (1b) and 3-indolepyruvic acid (10b)─were enhanced from undetectable levels to 29.5 and 5.1 U/mg, respectively. The activity toward 1b was nearly ten times higher than the best-reported mutant. The evolved DAPDHs displayed an expanded substrate spectrum and high catalytic performance, enabling the efficient synthesis of structurally diverse bulky D-amino acids at both analytical and preparative scales. The highest concentration of 1b achieved was 0.5 M (100 mL scale), with a space-time yield of 128.46 g/L/day. This study underscores the power of Rosetta-based evolution in accelerating enzyme engineering, offering a versatile and efficient platform for optimizing DAPDHs and other industrially significant enzymes.
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BIOORGANIC CHEMISTRY
·
2026
·
IF 4.7
Shaojie Zhang,Tanggan Wang,Meifeng Li,Qian Zhang,Hongju Liu
Scutellaria barbata D. Don has been used in traditional Chinese medicine for its heat-clearing and detoxifying effects to treat colitis. Polysaccharides are the key bioactive constituents of S. barbata . In this study, a heteropolysaccharide (SBP80) was extracted from S. barbata using water extraction methods. In vivo studies in mice demonstrated that SBP80 exhibited significant therapeutic effects on ulcerative colitis (UC). Specifically, SBP80 improved body weight and disease activity index (DAI) scores in UC mice, restored colon length, alleviated inflammatory cell infiltration in colonic tissues, and suppressed the levels of inflammatory cytokines and oxidative stress factors. Further purification of SBP80 yielded two polysaccharides, SBP80–1 (7.2 kDa) and SBP80–2 (292.3 kDa). Structural analysis revealed that both SBP80–1 and SBP80–2 were primarily composed of mannose, rhamnose, glucuronic acid, glucose, and galactose, with minor amounts of xylose, arabinose, and fucose. In addition, SBP80–2 contained higher amounts of glucuronic acid and xylose compared to SBP80–1. Methylation analysis further showed that the proportion of terminal residues and 1,6-linked residues in SBP80–2 was higher, while SBP80–1 exhibited more 1,4-linked residues. In vivo zebrafish experiments demonstrated that both SBP80–1 and SBP80–2 inhibited intestinal shortening and neutrophil infiltration in zebrafish with UC. They also reduced nitric oxide (NO) and reactive oxygen species (ROS) levels. Moreover, SBP80–2 exhibited superior anti-UC activity, which may be attributed to its structural characteristics. In conclusion, our findings indicate that S. barbata polysaccharides (SBP80–1 and SBP80–2) may be promising natural agents for the treatment of UC.
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International Journal of Environmental Research and Public Health
·
2022
·Vol. 19
·期 5
·
IF 4.614
Arcadia Del Rio,Narcisa Muresu,Giovanni Sotgiu,Laura Saderi,Illari Sechi,Andrea Cossu,Manuela Usai,Alessandra Palmieri,Bianca Maria Are,Giovanna Deiana
Background:Carbapenem-resistantKlebsiella pneumoniae(CR-Kp) is endemic globally, causing severe infections in hospitalized patients. Surveillance programs help monitor and promptly identify the emergence of new clones. We reported the rapid spread of a novel clone ofK. pneumoniaeco-harbouring class A and D carbapenemases in colonized patients, and the potential risk factors involved in the development of infections.Methods:Rectal swabs were used for microbiological analyses and detection of the most common carbapenemase encoding genes by real-time PCR (i.e., blaKPC, blaOXA-48, blaNDM, blaVIM, and blaIMP). All strains co-harbouring KPC and OXA-48 genes were evaluated. For each patient, the following variables were collected: age, sex, length and ward of stay, device use, and outcome. Clonality of CR-Kp was assessed by preliminary pulsed field gel electrophoresis (PFGE), followed by multi-locus sequence typing (MLST) analyses.Results:A total of 127 isolates ofK. pneumoniaeco-harbouring KPC and OXA-48 were collected between September 2019 and December 2020. The median age (IQR) of patients was 70 (61–77). More than 40% of patients were admitted to intensive care unit (ICU). Around 25% of patients developed an invasive infection, the majority of which were respiratory tract infections (17/31; 54.8%). ICU stay and invasive infection increased the risk of mortality (OR: 5.39, 95% CI: 2.42–12.00; OR 6.12, 95% CI: 2.55–14.69, respectively;p-value ≤ 0.001). The antibiotic susceptibility test showed a resistance profile for almost all antibiotics considered. Monoclonal origin was confirmed by PFGE and MLST showing a similar restriction pattern and belonging to ST-512.Conclusions:We report the spread and the marked antibiotic resistance profiles ofK. pneumoniaestrains co-producing KPC and OXA-48. Further study could clarify the roles of clinical and microbiological variables in the development of invasive infection and increasing risk of mortality, in colonized patients.
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Materials Science & Engineering C-Materials for Biological Applications
·
2017
·
IF 4.164
Guihua Cui,Yu Bai,Wenliang Li,Zhengguo Gao,Shuiying Chen,Nannan Qiu,Toshifumi Satoh,Toyoji Kakuchi,Qian Duan
A series of chain-end functional polymers composed of poly( N -isopropylacrylamide) (PNIPAM) and 2-amino-2-deoxy- d -glucopyranose( d -glucosamine, GA) was synthesized via atom transfer radical polymerization (ATRP). Novel fluorescent complexes of glucosamine-PNI- PAM/Eu(III) were then formed by chelation of the polymers and europium(III) ions. The aqueous solutions of the polymers and its Eu(III) complexes exhibited a lower critical solution temperatures (LCSTs), and which were approximately equal to body temperature. Cell viability assays suggested that these thermosensitive polymers and Eu(III) complexes showed excellent biocompatibility in vitro.
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2026
·
IF 4.6
Xiaolong Ma,Jiaxue Huang,Maolin Ran,Yuzhu Yang,Biao Qin
IrFeCoNiMo HEA catalyst with multi-d-orbital hybridization is developed for alkaline OER. • IrFeCoNiMo shows 249 mV overpotential at 10 mA cm⁻² and 50.26 mV dec⁻¹ Tafel slope in 1 M KOH. • IrFeCoNiMo exhibits 32.2-fold higher TOF than IrO₂, with low charge transfer resistance and large surface area. • IrFeCoNiMo shows exceptional OER stability with only 1.2% overpotential decay after 5000 CV cycles and 40 h test. • Multi-d-orbital hybridization and HEA lattice distortion synergistically enhance OER performance. To address the bottlenecks of low catalytic efficiency and insufficient stability in the oxygen evolution reaction (OER) for water electrolysis hydrogen production, a multi-d-orbital synergistic modulation strategy is proposed, and the IrFeCoNiMo high-entropy alloy catalyst is fabricated via a solvothermal method. Composed of transition metals with distinct d-orbitals, the catalyst exhibits a single face-centered cubic (FCC) structure, uniform nanomorphology, and the coexistence of multiple valence states of metal elements. In alkaline electrolyte, it delivers a low overpotential of 249 mV at 10 mA cm −2 , a small Tafel slope of 50.26 mV dec −1 , and a turnover frequency (TOF) value 32.24 times higher than that of commercial IrO₂. Moreover, the catalyst demonstrates excellent stability after 5000 cyclic voltammetry (CV) cycles and a 40-h chronopotentiometry test. Mechanistic analysis confirms that the orbital hybridization induced by directional electron transfer among multiple d-electron orbitals, combined with the lattice distortion effect of high-entropy alloys, optimizes intermediate adsorption, increases active sites, and accelerates charge transfer. This study provides a new pathway for the design and development of high-performance alkaline OER catalysts, which is of great significance for promoting the large-scale application of water electrolysis hydrogen production technology. IrFeCoNiMo high-entropy alloy with multi-d-orbital hybridization is fabricated via solvothermal method. It exhibits ultrahigh alkaline OER activity (249 mV@10 mA cm −2 ) and exceptional stability, with TOF 32.24 times that of commercial IrO₂, attributed to optimized intermediate adsorption and accelerated charge transfer from orbital synergy and lattice distortion. Download: Download high-res image (87KB) Download: Download full-size image
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Small
·
2026
·
IF 11.8
Runren Jiang,Hanqi Yue,Yuyue Liu,Yilin Deng
Developing efficient water purification technologies without external chemical inputs is critical for treating emerging contaminants. Herein, we report a Cu 2 WS 4 -CoPc composite piezocatalyst that enables efficient in situ H 2 O 2 production and pollutant degradation via enhanced oxygen activation. The introduction of CoPc induces interfacial electron transfer from Cu 2 WS 4 to CoPc and promotes O 2 activation through d-p orbital hybridization between Co and O 2 , as confirmed by density functional theory calculations showing a decrease in O 2 adsorption energy from +1.2 to −0.3 eV. Consequently, the composite exhibits significantly enhanced piezoelectric response, with increased piezoelectric constant and effective longitudinal piezoelectric coefficient. The optimized Cu 2 WS 4 -CoPc generates H 2 O 2 via a two-electron oxygen reduction pathway, with superoxide radicals (·O 2 − ) as the key intermediate, achieving a yield of 183.4 µM within 30 min, which far exceeds that of pristine Cu 2 WS 4 . Moreover, the catalyst degrades ciprofloxacin with a rate constant of 0.059 min −1 , approximately 4.5 times higher than pure Cu 2 WS 4 , and zebrafish toxicity assays confirm effective detoxification of degradation intermediates. This study provides a new strategy for enhancing piezocatalytic H 2 O 2 synthesis through strengthened oxygen activation and lays a theoretical foundation for designing efficient, environmentally benign water treatment technologies.
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2023
·
IF 3.8
Hui Jiang,Zijian Zhao,Ning Yu,Yi Qin,Zhengwei Luo,Wenhua Geng,Jianliang Zhu
Using N -methyl-D-glucosamine (NMDG) as the functional monomer , glycidyl methacrylate (GMA) as the connecting monomer, functionalized Fe 3 O 4 nano-particles (NPs) as the support, three adsorbents were prepared including direct polymer GMA-NMDG, magnetic GMA-NMDG polymer (MGN), and boron magnetic ion-imprinted polymer (BMIIP). Based upon the optimization of synthesis conditions, the prepared adsorbents and intermediate products were characterized using Fourier transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscope, energy dispersive spectroscopy, X-ray diffraction, vibrating sample magnetometer, and Brunauer–Emmett–Teller to investigate the synthesis process, the morphological structure and the functional properties of the materials. The optimum performances of GMA-NMDG, MGN and BMIIP were obtained in the initial neutral solution (pH of 6.5). Moreover, GMA-NMDG and MGN reached the maximum adsorption capacity at 120 min, whereas BMIIP reached adsorption saturation at 60 min. The pseudo-second-order kinetic model was more suitable for the adsorption of boron using the adsorbents. The maximum adsorption capacity of GMA-NMDG was found to be 43.4 mg·g −1 , while those of MGN and BMIIP were 32.5 and 28.3 mg·g −1 , respectively. The Langmuir isotherm model was more appropriate to describe the adsorption process . The adsorbents maintained satisfactory adsorption performance within a certain temperature range. Competing ions had little effect on the adsorption of boron, and would be adsorbed simultaneously, due to which, the effect of co-adsorption can be considered. The adsorption capacity of GMA-NMDG was high, while the adsorption selectivity of BMIIP was much better. Furthermore, BMIIP showed good adsorption after five cycles of adsorption and desorption. The comparison of adsorbents showed that GMA-NMDG had the highest adsorption capacity and was suitable for co-adsorption. MGN had a high adsorption capacity, good comprehensive performance and magnetic properties. BMIIP had better adsorption rate, adsorption selectivity and recyclability. Through the optimization of synthesis conditions, the adsorption capacity of the traditional monomer NMDG polymer was increased, and the magnetism was given to facilitate rapid recovery. Combined with the ion imprinting technology, it showed higher boron adsorption selectivity in the presence of competitive ions.
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