INORGANIC CHEMISTRY
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2020
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IF 4.825
Huimin Song,Naizheng Wang,Wang Liu,Jingcheng Feng,Jun Shen,Wei Dai,Zheshuai Lin,Jiyong Yao,Guochun Zhang
A gadolinium-rich borate Gd17.33(BO3)4(B2O5)2O16 was successfully grown by the high-temperature solution method using the Rb2O–B2O3 flux. The crystal crystallizes in centrosymmetric space group C2/m with lattice constants a = 18.4300(2) Å, b = 3.7400(4) Å, c = 14.2047(16) Å, and β = 119.8550(12)°. Two different honeycomb-like [GdO] layers alternately arrange in the order ABAB forming the three-dimensional framework, in which the isolated [B2O5] and [BO3] units fill in channels of the 12-membered and 10-membered [GdO] polyhedral rings, respectively. The UV cutoff edge of Gd17.33(BO3)4(B2O5)2O16 is less than 240 nm. The maximum −ΔSm,max is 26.53 J kg–1 K–1 or 174.70 mJ cm–3 K–1 (T = 4.4 K and ΔH = 7 T) as investigated by the isothermal magnetization method.
研究领域:
材料科学
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固体物理学
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晶体学
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Journal of the American Chemical Society
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2025
·
IF 15.6
Sai Feng,Renad Almughathawi,Andrej Weber,Songjun Hou,Chengyang Zhang,Jan S. Wössner,Birgit Esser,Colin Lambert,Qingqing Wu,Yueqi Li,Jinghong Li
Antiaromatic compounds are of great interest due to their narrow highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps, high reactivity, and enhanced charge mobility, yet their role in single-molecule electronics is still not well understood. Using electrochemically controlled scanning tunneling microscopy break junction (ECSTM-BJ) measurements, we compared the energy-alignment-dependent conductance of the aromatic [10]cycloparaphenylene ([10]CPP) and the antiaromatic [4]cyclodibenzopentalene ([4]CDBP). While [10]CPP showed a single conductance state via the HOMO, [4]CDBP exhibited two distinct states involving both the HOMO and LUMO. Our analysis and DFT calculations attribute this dual-state behavior to unique anchoring mode and energy-level realignment within a narrow HOMO-LUMO gap. This property enables electron- and hole-dominated pathways that depend on the anchoring configuration and coexist at a fixed gate potential. This phenomenon, also observed in the [4]CDBP⊃C60 structure, highlights the potential of antiaromatic molecules for advanced molecular electronics.
研究领域:
分子电子学
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物理化学
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纳米技术
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有机半导体
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量子输运
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Journal of Materials Chemistry C
·
2024
·Vol. 12
·期 34
·13632-13638
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IF 5.7
Wenjing Tan,Xuefan Wang,Ruqing Wei,Hongbo Huang,Daqing Yang,Ying Wang,Bingbing Zhang
Nonlinear optical (NLO) crystals are crucial components in all-solid-state lasers because they expand the wavelengths of existing laser sources through laser frequency conversion. In this work, Ag2[TeO2(OH)4] was identified in tellurates using the first-principles high-throughput screening pipeline for NLO materials (FHSP-NLO). The material was successfully produced via mild aqueous solution synthesis conditions, and a single crystal of 8 × 4 × 4 mm3 in size was obtained. Ag2[TeO2(OH)4] is one of the few materials that contains the [TeO2(OH)4]2− anionic group and belongs to the non-centrosymmetric (NCS) space group. Ag2[TeO2(OH)4] exhibited balanced comprehensive performances, including a large second harmonic generation (SHG) response of about 0.84 × AgGaS2 (AGS), moderate band gap (2.73 eV) and large birefringence (0.106@1064 nm). First-principles studies revealed that the dominant units that contribute to the crystal's linear and nonlinear optical properties are Ag atoms and TeO2(OH)4 groups.
研究领域:
材料科学
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光学
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无机化学
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计算物理
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ENVIRONMENTAL MONITORING AND ASSESSMENT
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2023
·Vol. 195
·期 6
·1-15
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IF 3
Wang Yan,Han Xue,Zhang Jie,Zhou Meng-Xuan,Liu Ai-Lin
Biological effect-based monitoring is essential for predicting or alerting to a possible deterioration in drinking water quality. In the present study, a reporter gene assay based on oxidative stress–mediated Pgst-4::GFP induction in the Caenorhabditis elegans strain VP596 (VP596 assay) was assessed for its applicability in evaluating drinking water safety and quality. This assay was used to measure the oxidative stress response in VP596 worms exposed to six ubiquitous components (As 3+ , Al 3+ , F − , NO 3 − -N, CHCl 3 , and residual chlorine) in drinking water, eight mixtures of these six components designed through orthogonal design, ninety-six unconcentrated water samples from source to tap water in two supply systems, and organic extracts (OEs) of twenty-five selected water samples. Pgst-4::GFP fluorescence was not induced by Al 3+ , F − , NO 3 − -N, and CHCl 3 , and was significantly enhanced by As 3+ and residual chlorine only at concentrations higher than their respective drinking water guideline levels. Pgst-4::GFP induction was not detected in any of the six-component mixtures. Induction of Pgst-4::GFP was observed in 9.4% (3/32) of the source water samples but not in the drinking water samples. However, a notable induction effect was revealed in the three OEs of drinking water, with a relative enrichment factor of 200. These results suggest that the VP596 assay has limited utility for screening drinking water safety by testing unconcentrated water samples; however, it offers a supplemental in vivo tool for prioritizing water samples for an enhanced quality assessment, monitoring pollutant removal performance by drinking water treatment plants, and evaluating water quality in water supplies.
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Micromachines
·
2023
·Vol. 14
·期 4
·739
·
IF 3.4
Mingjie Han,Yong Xie,Ri Wang,Yang Li,Chao Bian,Shanhong Xia
As a highly toxic heavy metal ion, mercury ion (Hg2+) pollution has caused serious harm to the environment and human health. In this paper, 4-mercaptopyridine (4-MPY) was selected as the sensing material and decorated on the surface of a gold electrode. Trace Hg2+could be detected by both differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS) methods. The proposed sensor displayed a wide detection range from 0.01 μg/L to 500 μg/L with a low limit of detection (LOD) of 0.002 μg/L by EIS measurements. Combined with molecular simulations and electrochemical analyses, the chelating mechanism between Hg2+and 4-MPY was explored. Through the analysis of binding energy (BE) values and stability constants, 4-MPY showed an excellent selectivity for Hg2+. In the presence of Hg2+, the coordination of Hg2+with the pyridine nitrogen of 4-MPY was generated at the sensing region, which caused a change in the electrochemical activity of the electrode surface. Due to the strong specific binding capability, the proposed sensor featured excellent selectivity and an anti-interference capability. Furthermore, the practicality of the sensor for Hg2+detection was validated with the samples of tap water and pond water, which demonstrated its potential application for on-site environmental detection.
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FOOD CONTROL
·
2023
·
IF 6
Yanhua Xu,Huiyan Dong,Chenxi Liu,Haiwei Lou,Renyong Zhao
Aflatoxin B 1 (AFB 1 ) is the most common mycotoxin with the highest toxicity, posing a threat for food contamination. In this study, the bacterium Pseudomonas aeruginosa M-4 was isolated from rotten wood, and its culture supernatant showed a 56.79% AFB 1 degradation rate. Treatment with proteinase K, sodium dodecyl sulfate, and trichloroacetic acid decreased the AFB 1 degradation rate in the culture supernatant to 20.71%, 10.83%, and 19.62%, respectively. Moreover, heating the culture supernatant at 121 °C for 30 min increased in the AFB 1 degradation rate to 84.76%, indicating effective degradation by heat-resistant and inducible extracellular proteins or enzymes. P. aeruginosa M-4 reduced the content of AFB 1 in contaminated maize (90.57%, 14 d). Additionally, high-performance liquid chromatography and ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry analyses showed that AFB 1 was biotransformed into structurally different compounds, (C 17 H 16 O 6 ), (C 16 H 14 O 5 ), (C 17 H 14 O 5 ), and (C 16 H 10 O 6 ). According to the structure-activity relationship, these degradation products were produced by the destruction of partial toxic sites of AFB 1 , so the toxicity of these products may be lower than that of AFB 1 . Thus, P . aeruginosa M-4 has excellent potential for application in the detoxification of AFB 1 in food and feed.
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International Journal of Electrochemical Science
·
2023
·
IF 1.5
Chengyi Zhu,Jianxiong Liu,Xiaohua Yu,Yingjie Zhang,Xiaodong Jiang,Peng Dong,Yannan Zhang
4-Bromoanisole (4BA) is recommended for LiNi0.6Co0.2Mn0.2O2 (NCM 622) cathode materials as a safety electrolyte additive. The effect of anti-overcharge on NCM 622 cathodes are analyzed by cyclic voltammetry, constant current charge and discharge, AC impedance and scanning electron microscopy (SEM) measurement. The overcharge test results show that 4BA can be effectively electropolymerized at 4.45 V (vs. Li/Li + ), which can consume the overcharge current and protect the working electrode from voltage runaway. The time for the voltage rising to the overcharge state is availably delayed from about 16 hours to about 37 hours. The strategy can block off further oxidation of the active material and electrolyte, and finally promote the overcharge tolerance of the Li-ion batteries. Moreover, it is also found that the use of 4BA as a safety electrolyte additive does not obviously effect the electrochemical performance of NCM 622 and can effectively improve its cycle stability at high cut-off voltage (4.7 V).
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Journal of Water Process Engineering
·
2022
·
IF 7.34
Xiying Zhu,Lijia Liu,Yudan Wang,Fuqiu Ma,Yao Tian,Hongxing Dong,Chunhong Zhang
Seawater contains abundant uranium, which could provide a long–term supply for developing the nuclear power industry. Developing an efficient uranium–selective adsorbent is therefore an urgent requirement. In this work, we used a simple Friedel–Crafts alkylation reaction and a subsequent phosphorylation reaction to prepare porous phosphorylated hyper-crosslinked calix[4]arene (C4HP) for potential use in the recovery of uranium from seawater. The effect of the initial pH, adsorbent composition, sorbent dose and contact time on the sorption of uranyl ions was investigated. Because of the introduction of the phosphate groups , C4HP shows an excellent adsorption capacity of 336.4 mg·g −1 for uranium, which is much higher than that of hyper-crosslinked calix[4]arene (C4H) without phosphorylation. Meanwhile, C4HP functioned as a promising adsorbent for uranyl extraction with fast capture kinetics (the adsorption equilibrium can be reached in 150 min). After 6 cycles, C4HP maintained its original adsorption capacity of 76.2 % (255.4 mg·g −1 ). Furthermore, C4HP possesses excellent adsorption selectivity for uranium in artificial seawater, with a K d U of ~4.1 × 10 4 mL·g −1 , much higher than that of other metals. This makes it useful for broad applications and capturing uranium from natural seawater. The effective extraction of uranyl was primarily attributed to the chelation of uranyl ions with phosphate groups .
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CHEMOSPHERE
·
2022
·
IF 8.943
Ang Ma,Weiye Yang,Kunpeng Gao,Junqi Tang
Anisotropic gold nanostructures have attracted great attention in different fields including catalysis. Thermodynamically driven selective surface growth offers a reliable and reproducible method for anisotropic gold nanoparticle synthesis with specific morphologies. Herein, monocrystalline concave gold nano-arrows (AuCNAs) are prepared by the over-growth method using Au nanorods (AuNRs) as seeds. The as-prepared AuCNAs consist of a biconical head and four concave structures. Interestingly, silver ions (Ag + ) concentration significantly affects the product morphology by tuning the peak positions of surface plasmon resonance (SPR), aspect ratio, arrow, and concave morphology of AuCNAs. The position of longitudinal SPR peaks is observed at 810, 805 and 782 nm at [Ag + ]/[Au 3+ ] molar ratios of 1:2, 1:1, and 2:1, respectively. Diameters and lengths of AuCNAs varied from 25 nm to 36 nm; 104 nm, 78 nm, and 120 nm, respectively. Additionally, the AuCNAs are applied for the catalytic reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in presence of excess NaBH 4 . Compared to gold nanorods (AuNRs), the prepared AuCNAs catalyst shows excellent catalytic activity , demonstrating that concave structures and sharp corners significantly enhance the catalytic activity. The value of pseudo-first-order reaction kinetic constants (k app ) increased from 0.0051 to 0.0195 s −1 with increasing catalyst valume from 7.5 to 37.5 μL. The highest normalized reaction rate constant (K nor ) and turnover frequency (TOF) reach 5.84 × 10 4 min −1 mmol −1 and 443.47 h −1 , respectively, at [Ag + ]/[Au 3+ ] ratio of 1:1 in AuCNAs catalyst. This study expands catalytic applications of anisotropic gold nanostructures and widens their potential application areas, such as surface plasmon exciton photonics , biomedical photonics, and photocatalysis .
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APPLIED SURFACE SCIENCE
·
2022
·
IF 7.392
Gaosheng Ren,Zhihui Su,Yu Tang,Weichen Du,Nan Xu,Chengyi Dai,Xiaoxun Ma
It is very important to design model catalysts to control the site distribution and develop methods to improve their electronic environment and thus promote the catalyst’s performance in the electrochemical reduction of CO 2 (CO 2 RR). In this work, a strategy of in-situ synthesis and anchoring of nanoparticles (SSAN) was developed. Using this strategy, a “jujube-cake” type catalyst was designed, referred to as Ag@4-MBA. In this catalyst, Ag nanoparticles (NPs) act as “jujube”, which are embedded in 4-mercaptobenzoic acid (4-MBA) acting as “cake”. A Pointer-shaped Ag@4-MBA material was prepared that achieved high loading of Ag species (∼24.0 wt%), high dispersion (5–10 nm), high CO mass activity (93.7 A g Ag −1 ), high CO faradaic efficiency (94.0%) and high CO production (2.0 mol g Ag −1 h −1 ), showing a superior performance to that of the recently reported Ag-based catalysts. Density functional theory (DFT) calculations and X-ray photoelectron spectroscopy (XPS) characterization showed that a high degree of electron delocalization of the Ag–S–aromatic ring and reconstructing the electronic environment of the metal sites were achievied, it is beneficial to stabilize the reaction intermediate COOH*. This work provides a new approach for the design of metal nanoparticle model catalysts with more sustainable CO 2 RR.
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Journal of Healthcare Engineering
·
2022
·
IF 3.822
Canhong Yang,Sisi Qin,Jiafa Zhang,Yuanyuan Wang,Huan Li,Tianming Lü
Protein misfolding and/or aggregation are common pathological features associated with a number of neurodegenerative diseases, including Alzheimer’s disease (AD) and Parkinson disease (PD). Abnormal protein aggregation may be caused by misfolding of the protein and/or dysfunction of the protein clearance system. Recent studies have demonstrated that the specific water channel protein, aquaporin-4 (AQP4), plays a role in the pathogenesis of neurodegenerative diseases involving protein clearance system. In this study, we aimed to investigate the role of sulforaphane (SFN) in the upregulation of AQP4 expression, along with its underlying mechanism using cultured mouse astrocytes as a model system. At low concentrations, SFN was found to increase cell proliferation and result in the activation of astrocytes. However, high SFN concentrations were found to suppress cell proliferation of astrocytes. In addition, our study found that a 1 μM concentration of SFN resulted in the upregulation of AQP4 expression and p38 MAPK phosphorylation in cultured mouse astrocytes. Moreover, we demonstrated that the upregulation of AQP4 expression was significantly attenuated when cells were pretreated with SB203580, a p38 MAPK inhibitor. In conclusion, our findings from this study revealed that SFN exerts hormesis effect on cultured mouse astrocytes and can upregulate astrocytic AQP4 expression by targeting the p38 MAPK pathway.
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JOURNAL OF MEMBRANE SCIENCE
·
2022
·
IF 10.53
Huanni Xia,Hua Jin,Yating Zhang,Hao Song,Jianqiao Hu,Yun Huang,Yanshuo Li
Membrane technology with environmentally friendly and cost-efficient features has been well acknowledged as a promising solution for effective CO 2 separation. Metal organic framework (MOF) glasses are one of the most attractive membrane materials currently, because of their easy processability, absence of grain-boundary defects, and permanent porosity. In this study, a mixed linker tetrahedral imidazolate framework-4 (TIF-4) MOF with ultrahigh glass forming ability was selected for fabricating highly CO 2 selective membranes. Through adjusting the molar ratio of the imidazole (Im) and 5-methylbenzimidazolate (5-mbIm) linkers in the TIF-4 framework, the melting temperatures as well as the CO 2 adsorption property could be controlled systematically. After vitrification, TIF-4 glasses (a g TIF-4) with varying 5-mbIm content were prepared, and all of them exhibit higher isosteric heat of CO 2 adsorption than the corresponding TIF-4 crystals. Both CO 2 /CH 4 and CO 2 /N 2 uptake ratio (298 K, 1 bar) of a g TIF-4 samples are more than twice as that of TIF-4 crystals, suggesting the great potential of a g TIF-4 for CO 2 separation. Further, a g TIF-4 membranes were successfully prepared by the melt-quenching process from the polycrystalline membranes. a g TIF-4 membranes are highly CO 2 selective with CO 2 /N 2 and CO 2 /CH 4 separation factors of 27 and 30. More importantly, a g TIF-4 membrane displays long-term stability up to 10 months, which is highly conductive to its industrial application for CO 2 separation.
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