ACS Sustainable Chemistry & Engineering
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2024
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IF 7.1
Xinyu Mao,Yu Chen,Shihao Li,Yang Yang,Chen Tao,Jiafu Shi,Zhongyi Jiang
Activation of the N≡N bond is of importance in photocatalytic nitrogen (N2) fixation, which strongly relies on the precise construction of catalytic active sites. Herein, we reported a dual-metal photocatalyst of Mo/UN(Zr) with a high proportion of Mo-coordinated Zr–O clusters (Zr–O–Mo dual-metal active sites) for photocatalytic N2 fixation, which was synthesized though post-modification to the defects of UN(Zr) by Mo. By contrast with the dual-metal photocatalyst of UN(Zr–Mo) synthesized via the co-mixing method, Mo/UN(Zr) possesses a higher proportion of Zr–O–Mo dual-metal active sites that is crucial for activating and polarizing N≡N bond as evidenced by in situ Fourier transform infrared (FTIR) spectroscopy combined with density functional theory (DFT) calculations. The synergistic effect of Zr–O–Mo dual-metal active sites resulted in a lower potential activation energy barrier for N2 activation which promoted the photocatalytic N2 fixation efficiency. The optimum photocatalytic N2 fixation rate of Mo/UN(Zr) was 255.7 μmol g–1 h–1 by adjusting the loading amount of Mo, which was enhanced about 2.5 times and 1.6 times compared with UN(Zr) and UN(Zr–Mo) photocatalyst, respectively. Our study will afford valuable guidance for designing efficient photocatalysts for photocatalytic N2 fixation.
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BIOORGANIC CHEMISTRY
·
2024
·
IF 4.5
Fengxin Zheng,Jiale Ke,Shiqin Lin,Wenjie Ye,Zhenkun Wu,Yuexin Xu,Suiqing Mai,Yishuang Chen,Zitao Guo,Huazhong Hu,Shuqin Zhang,Jianxin Pang,Qun Zhang,Zean Zhao
Inhibition of human concentrative nucleoside transporter 2 (CNT2) could suppress increases in serum urate levels derived from dietary purines. However, the structural basis for substrate recognition of CNT2 is still unknown and only a few inhibitors have been reported. In this study, a homology model of CNT2 was constructed and residues T315, E316, N426, N491, E492, F536 and N538 were identified as binding sites for adenosine through site-directed mutagenesis and a 3 H-adenosine uptake assay. To explore potential CNT2 inhibitors, a database containing 4704 saccharides and glycosides was constructed, followed by high-throughput virtual screening. The top 20 compounds with the highest docking scores were then evaluated their in vitro activity. Among them, cyanidin-3-O-galactoside (Cy3Gal) demonstrated the most potent inhibitory activity against CNT2, exhibiting an IC 50 value of 9.40 μM. Docking analysis revealed that residues M314, T315, T347, N422, F536 and S541 contributed to a strong binding affinity with Cy3Gal. In addition, Cy3Gal exhibited minimal inhibitory effects on CNT3 and equilibrative nucleoside transporters (ENTs) in vitro . At doses of 5–20 mg/kg, Cy3Gal effectively reduced serum and urine levels of uric acid and adenosine in vivo . The CCK-8 assay revealed that Cy3Gal displayed minimal cytotoxicity to mTEC and hIEC cells at a concentration of 100 μM. The serum CR and BUN levels indicate that Cy3Gal does not exhibit any apparent renal toxicity compared to lesinurad and allopurinol. HE examination showed no noticeable pathological changes in the kidneys or colons after treatment with Cy3Gal. In summary, Cy3Gal could be a CNT2 inhibitor with favorable drugability for the treatment of hyperuricemia.
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INTERNATIONAL JOURNAL OF PHARMACEUTICS
·
2024
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IF 5.3
Yiwen Liu,Ruirui Liu,Qingliang Yang,Gensheng Yang
As a natural small molecule drug derived from turmeric, curcumin is known for its good biosafety and a range of beneficial effects, including anti-inflammatory, anti-spasmodic, antioxidant, antibacterial, anti-tumor, and neuroprotective effects. Even though, its insolubility in water and instability severely limit its bioavailability and clinical applications. The present study developed a deep eutectic solvent (DES) in oil microemulsion (DES/O-ME) system loaded with Cur for intranasal administration, aiming to enhance both the solubility and permeability of Cur to significantly increase its bioavailability. The project first constructed and screened the optimal choline chloride-based DES. Subsequently, the DES/O-ME system was prepared and optimized to achieve uniform particle size and stability using a pseudo-ternary phase diagram and electrical conductivity measurements. The resulting DES/O-ME system was thoroughly evaluated for its solubilization efficacy, permeability, mucosal cytotoxicity, and stability. Additionally, the therapeutic efficacy of the Cur-DES/O-ME was assessed in vivo using a murine model of allergic asthma. This comprehensive evaluation highlights the potential of the DES/O-ME system as a promising intranasal drug delivery platform to overcome the limitations of curcumin’s bioavailability and clinical application.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2011
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IF 2.089
Baimei Yang,Hui Wan,Guofeng Guan
Isobaric binary vapor–liquid equilibrium (VLE) data for 1-butanol + ethylbenzene, or o-, or m-, or p-xylene and isobaric quinary VLE data for 1-butanol + ethylbenzene + o-xylene + m-xylene + p-xylene are measured at 101.33 kPa using a modified Rose cell with circulation of both phases. The four binary systems of 1-butanol + ethylbenzene, or o-, or m-, or p-xylene exhibit minimum boiling azeotropes, and the composition of the azeotropes are reported. The VLE data for the four binary systems are checked to meet rigorous thermodynamic consistency by Herington method and the point-to-point test of the Fredenslund method. The nonideality in vapor phase of the measured binary systems is analyzed through calculating fugacity coefficients. Combined with the Hayden–O'Connell (HOC) equation, the VLE data for 1-butanol + ethylbenzene, or o-, or m-, or p-xylene are well-correlated by the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson equations. The NRTL model parameters obtained from correlation are used to predict the VLE data of the quinary system. According to the average absolute deviation values, the obtained quinary predicted values are in good agreement with the experimental values.
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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2025
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IF 8.3
Riguang Cheng,Zhaoyu Liu,Pantrangi Manasa,Zhongxian Zhao,Hongge Pan,Fen Xu,Lixian Sun,Federico Rosei
The inherent thermodynamic stability and slow kinetics of LiAlH₄ pose significant challenges for its practical application in hydrogen storage. This study addresses these limitations by introducing nanoflower-structured layered double oxides (Co₃O₄@CoNi-LDO) as a performance-enhancing catalyst. The Co₃O₄@CoNi-LDO was synthesized through a hydrothermal process followed by calcination and subsequently incorporated into LiAlH₄ via mechanical ball milling. Experimental results demonstrate that the addition of 7 wt% Co₃O₄@CoNi-LDO substantially improves the hydrogen desorption properties of LiAlH₄. The hydrogen release temperatures for the two-step desorption process are reduced to 85.1 °C and 177.0 °C, respectively, with a total hydrogen release of approximately 6.87 wt% below 300 °C. Moreover, the activation energy of the two desorption steps is lowered by 20.0% and 46.3% compared to pristine LiAlH₄. The modified material also exhibits superior rehydrogenation performance, absorbing approximately 0.64 wt% hydrogen within 5 h-markedly better than pristine LiAlH₄. Mechanistic studies reveal that the in-situ formation of catalytically active species, such as Al₁₃Co₄ and Al₀.₉Ni₄.₂₂, anchored on the LiAlH₄ matrix, plays a pivotal role in facilitating hydrogen transfer. These catalytic sites effectively reduce the energy barriers for hydrogen desorption, enhancing the kinetics of the process. This work highlights the potential of Co₃O₄@CoNi-LDO nanoflowers as a highly effective catalyst for improving the hydrogen storage capabilities of LiAlH₄, paving the way for its application in advanced energy storage systems.
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Scientific Reports
·
2017
·Vol. 7
·期 1
·1-12
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IF 4.259
Wu Zhaoguan,Li Henghui,Zhang Qiwei,Liu Xin,Zheng Qi,Li Jianjun
O -Acetylation of sialic acid in protein N-glycans is an important modification and can occur at either 4-, 7-, 8- or 9-position in various combinations. This modification is usually labile under alkaline reaction conditions. Consequently, a permethylation-based analytical method, which has been widely used in glycomics studies, is not suitable for profiling O -acetylation of sialic acids due to the harsh reaction conditions. Alternatively, methylamidation can be used for N-glycan analysis without affecting the base-labile modification of sialic acid. In this report, we applied both permethylation and methylamidation approaches to the analysis of O -acetylation in sialic acids. It has been demonstrated that methylamidation not only stabilizes sialic acids during MALDI processing but also allow for characterization of their O -acetylation pattern. In addition, LC-MS/MS experiments were carried out to distinguish between the O -acetylated glycans with potential isomeric structures. The repeatability of methylamidation was examined to evaluate the applicability of the approach to profiling of O -acetylation in sialic acids. In conclusion, the combination of methylamidation and permethylation methodology is a powerful MALDI-TOF MS-based tool for profiling O -acetylation in sialic acids applicable to screening of N-glycans.
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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
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2025
·Vol. 36
·期 4
·1-13
·
IF 2.8
Wang Hanxiao,Zhang Hong,Li Mei,Zhang You,Li Zhicheng,Leng Senlin
NTC thermistors have broad application prospects, and low-temperature sintering of NTC thermistors is of great significance in reducing sintering costs and is beneficial for preparing multi-layer structured components with lower cost internal electrode conductors. In this work, a low-melting point compound basing on Y 2 Ba 2 Cu 2 O 7 is selected as sintering agent for the preparation of Li-doped Ni–Zn–O (Ni 0.97- x Zn x Li 0.03 O 2 , x = 0.1, 0.3, 0.5, 0.7) ceramic thermistors. The sintering temperature can be reduced by more than 250 °C comparing with the one of the related ceramics without sintering aid (NiO ceramics was sintered at 1400 °C). The fabricated Li-doped Ni–Zn–O ceramics consist of single salt-rock NiO phase for x ≤ 0.3 and are composed of NiO-rich and ZnO-rich phases for x = 0.5 or 0.7. All ceramics show typical NTC characteristics with a wide-range adjustable material constant ( B values ranging from 756 to 4967 K). The Ni–Zn–O ceramics have high aging stability with the resistance shift rates induced at 125 °C lower than 1.89%. The microstructure, conduction modes and aging mechanism were investigated using the XRD, SEM, XPS, and electrochemistry impedance spectra.
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ACS Central Science
·
2024
·
IF 12.7
Xiangfeng Meng,Yue Zhou,Lei Xu,Limu Hu,Changjiang Wang,Xiao Tian,Xiang Zhang,Yi Hao,Bo Cheng,Jing Ma,Lei Wang,Jialin Liu,Ran Xie
Glycosylation plays a pivotal role in the intricate landscape of human cholangiocarcinoma (CCA), actively participating in key pathophysiological processes driving tumor progression. Among the various glycosylation modifications, O-linked β-N-acetyl-glucosamine modification (O-GlcNAcylation) emerges as a dynamic regulator influencing diverse tumor-associated biological activities. In this study, we employed a state-of-the-art chemical proteomic approach to analyze intact glycopeptides, unveiling the critical role of O-GlcNAcylation in orchestrating Keratin 18 (K18) and its interplay with tricarboxylic acid (TCA) cycle enzymes, specifically isocitrate dehydrogenases (IDHs), to propel CCA progression. Our findings shed light on the mechanistic intricacies of O-GlcNAcylation, revealing that site-specific modification of K18 on Ser 30 serves as a stabilizing factor, amplifying the expression of cell cycle checkpoints. This molecular event intricately fosters cell cycle progression and augments cellular growth in CCA. Notably, the interaction between O-GlcNAcylated K18 and IDHs orchestrates metabolic reprogramming by down-regulating citrate and isocitrate levels while elevating α-ketoglutarate (α-KG). These metabolic shifts further contribute to the overall tumorigenic potential of CCA. Our study thus expands the current understanding of protein O-GlcNAcylation and introduces a new layer of complexity to post-translational control over metabolism and tumorigenesis.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2025
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IF 21.1
Li Fu,Zhiwei Li,Xiaoying Shang,Wei Zhang
Reasonable design and couple of efficient co-catalysts on photoanodes for the oxygen evolution reaction (OER) are crucial for photoelectrochemical (PEC) water splitting. However, the interaction principles and charge transport mechanisms at the interface remain unclear. Herein, SrCoO 3-δ perovskite single-crystal quantum dots (PSC QDs) are coupled onto the BiVO 4 surface via M-O-M bonds, forming a three-dimensional porous topological network structure. The band alignment between BiVO 4 and SrCoO 3-δ is favorable for charge carrier separation. The interfacial field in BiVO 4 /SrCoO 3-δ via M-O-M bonds facilitates the redistribution of charges by detailed experiments and density functional theory (DFT) calculations. The enhanced band bending at the interface promotes efficient charge separation and fast hole transfer. The introduction of SrCoO 3-δ PSC QDs modulates the electronic structure for BiVO 4 , inducing an increase in the electron density near the Bi/V sites. The p-type SrCoO 3-δ , with Co 3 + -O 2- -Co 4+ double exchange interactions, improves conductivity and provides active Co sites for OER, reducing the reaction energy barrier of the rate-determining step (RDS) (*O→*OOH) and thus facilitating rapid water oxidation. A significant photocurrent density of 5.05 mA cm −2 at 1.23 V vs. REH is achieved for the BiVO 4 /SrCoO 3-δ photoanode. Meanwhile, temporal and spatial evolution for charge carrier transfer kinetics and OER dynamics were systematically investigated for the BiVO 4 /SrCoO 3-δ photoanode. This work sheds new insights into the design and understanding of efficient co-catalysts for solar water splitting.
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INDUSTRIAL CROPS AND PRODUCTS
·
2024
·
IF 5.6
Hongxi Zhang,Zhongke Li,Shuyu Tang,Xiande Yang,Meng li,Jing Yang,Liang Wei
This study examines the use of tetrabutylammonium tetrafluoroborate (TBABF 4 ) as a catalyst for the depolymerization of lignin and its model compound without the addition of oxidants. The impact of electrolytes, reaction times, and solvents on the cleavage of the α-O-4 bond in lignin is investigated. The experimental setup includes specific conditions such as the use of carbon cloth (CC) as the counter electrode and a platinum plate as the working electrode. The TBABF 4 catalyst effectively cleaved the α-O-4 bond in the lignin model molecule with notable selectivity and minimal formation of by-products, resulting in a substantial conversion rate of benzyl phenyl ether (95.7 %) and a high yield of benzaldehyde dimethyl aceta (92.4 %) under specific conditions. This investigation showcases a mild electrochemical catalytic depolymerization approach for lignin model molecules at ambient temperature, thereby presenting novel avenues for further exploration in the field.
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Energy Materials
·
2025
·Vol. 5
·期 3
·N
·
IF 11.2
Hongwei Liu,Zhenming Cui,Yan Sun,Zhennan Qiao,Yanlan Zhang,Qiang Bai,Yongzhen Wang
Carbon-based supercapacitors have emerged as promising energy storage components for renewable energy applications due to the unique combination of various physicochemical characteristics in porous carbon materials (PCMs) that can improve specific capacitance (SC) properties. It is essential to develop a methodical approach that exploits the synergy of these effects in PCMs to achieve superior capacitance performance. In this study, machine learning (ML) provided a clear direction for experiments in the screening of key physicochemical features; SHapley Additive exPlanations analysis on ML indicated that specific surface area and specific doping species had a significant synergistic impact on SC enhancement. Utilizing these insights, an O, N co-doped hierarchical porous carbon (ONPC-900) was synthesized using a synergistic pyrolysis strategy through K2CO3-assisted in-situ thermal exfoliation and nanopore generation. This method leverages the role of carbon nitride (graphite-phase carbon nitride) as an in-situ layer-stacked template and the oxygen (O)-rich properties of the pre-treated lignite, enabling controlled synthesis of graphene-like folded and amorphous hybrid structures engineered for the efficient N and O doping sites and high specific surface area, resulting in an electrode material with enhanced structural adaptability, rapid charge transfer, and diffusion mass transfer capacity. Density functional theory (DFT) calculations further confirmed that pyrrole nitrogen (N-5), carboxyl (-COOH) active sites, and the defect structure formed by pores synergically enhanced the adsorption of electrolyte ions (K+) and electron transfer, improving the SC performance. The optimized ONPC-900 electrode exhibited impressive SC properties of 440 F g-1 (0.5 A g-1), outperforming most coal-based PCMs. This study provides a methodology for designing and synthesizing high SC electrode materials by optimizing the key characteristic parameters of synergism from complex structure-activity relationships through the combination of ML screening, experimental synthesis, and density functional theory validation.
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GREEN CHEMISTRY
·
2025
·
IF 9.2
Xinjun He,Mengqiao Gao,Fukun Li,Zhiyang Tang,Jie Qu,Jinxing Long,Qiang Zeng,Xuehui Li
Catalytic hydrogenolysis of lignin has attracted steady attentions in regard of producing high-value aromatic chemicals from the renewable resource and achieving the “carbon neutrality” goal. However, current techniques for lignin hydrogenolysis are highly challengeable due to the necessity of pure H2 and relatively low yields in monomers. In this work, a novel and efficient approach has been proposed for the conversion of lignin to monophenols under readily available and cost-effective syngas. The results demonstrated that CO has the dramatic promotion on the bagasse lignin hydrogenolysis over commercialized Pd/C at 230 °C for 4 h, the yield of monophenols reaches 357.2 mg/g at 3.0 MPa syngas (CO/H2=2/1), which is approximately 1.7 times of that under pure H2. As evidenced by quantitative 31P NMR analysis, the promoting effects of CO on lignin depolymerization are positively correlated with the content of side-chain hydroxyl groups in lignin. Further investigations on lignin model conversion reveal that CO suppresses the dehydroxylation at Cα-OH, with concomitant enhancement of Cβ-O bond cleavage (increasing from 10% in H₂ to 64% in syngas). This inhibitory effect on side-chain hydroxyls elimination directly correlates with the 1.7-fold increase of monophenol yields observed during catalytic depolymerization. Therefore, this work provides a new insight in lignin depolymerization using industrial catalyst of Pd/C and the cost-effective syngas.
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