JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Ningning Tian,Changyou Yu,Shichao Du,Bo Lin,Ye Gao,Zhenguo Gao
The solid–liquid equilibrium solubility of isatoic anhydride in 12 pure solvents (methanol, ethanol, 1-propanol, isopropyl alcohol, methyl acetate, ethyl acetate, propyl acetate, isopropyl acetate, acetone, 2-butanone, acetonitrile, and 1,4-dioxane) at T = 288.15 to 328.15 K was measured by the gravimetric method under atmospheric pressure. Experimental results demonstrate that the mole fraction solubility of isatoic anhydride in these selected solvents increased with the increase of temperature, and the dissolution behavior is affected by multiple factors like polarity, H-bond interaction, cohesive energy density, etc. The modified Apelblat model, the van’t Hoff model, the nonrandom two-liquid model, and the λh model were used to correlate the experimental solubility data. The maximum values of the relative average deviation and root-mean-square deviation were no more than 4.23 × 10–2 and 5.31 × 10–4, respectively. Furthermore, the thermodynamic properties including the mixing Gibbs energy, mixing enthalpy, and mixing entropy were calculated, which indicates that the dissolution of isatoic anhydride was a spontaneous and entropy-favorable process.
研究领域:
化学工程
·
物理化学
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DOI
高影响因子
Journal of Materials Chemistry A
·
2019
·Vol. 7
·期 44
·25268-25273
·
IF 10.733
Jun Han,Kunjie Zhu,Pei Liu,Yuchang Si,Yujun Chai,Lifang Jiao
Herein, the preparation of CoSb nanoparticles embedded in carbon nanofibers with a raised surface (N-doped CoSb@C nanofibers) via the electrospinning method is reported for the first time. The distinct structure facilitates the pseudocapacitive behaviors, which is the key to obtain fast kinetics and long cyclability. N and Co elements can not only optimize the electronic configuration but also buffer the volume changes of the material during cycling. For potassium-ion batteries, the capacity maintains 250 mA h g−1 after 500 cycles at 1 A g−1, and for sodium-ion batteries, the capacity keeps 413 mA h g−1 after 1000 cycles at 1 A g−1. Thus, this work makes a great contribution towards exploring high-capacity anodes for practical potassium-ion batteries and sodium-ion batteries.
研究领域:
材料科学
·
能源存储与转换
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DOI
高影响因子
JOURNAL OF CARDIOVASCULAR PHARMACOLOGY
·
2022
·Vol. 80
·期 5
·679-689
·
IF 3.271
Wang Na,Yang Yang,Wen Jing,Fan Xin-Rong,Li Jian,Xiong Bing,Zhang Jin,Zeng Bo,Shen Jian-Wu,Chen Gui-Lan
Tolterodine is a first-line antimuscarinic drug used to treat overactive bladder. Adverse cardiac effects including tachycardia and palpitations have been observed, presumably because of its inhibition of the Human Ether-à-go-go-Related gene (hERG) K+ channel.
However, the molecular mechanism of hERG channel inhibition by tolterodine is largely unclear. In this study, we performed molecular docking to identify potential binding sites of tolterodine in hERG channel, and two-microelectrode voltage-clamp to record the currents of hERG and its mutants
expressed in Xenopus oocytes. The results of computational modeling demonstrated that phenylalanine at position 656 (F656) and tyrosine at position 652 (Y652) on the S6 helix of hERG channel are the most favorable binding residues of tolterodine, which was validated by electrophysiological
recordings on Y652A and F656A hERG mutants. The Y652A and F656A mutations decreased inhibitory potency of tolterodine 345-fold and 126-fold, respectively. The Y652A mutation significantly altered the voltage dependence of channel inhibition by tolterodine. For both the wild-type and the mutant
channels, tolterodine reduced the currents in a time-dependent manner, and the blockade occurred with the channel activated. Tolterodine did not interfere with hERG channel deactivation, whereas channel inactivation greatly impaired its blocking effect. The inhibition of hERG channel by tolterodine
is independent of its action on muscarinic acetylcholine receptors. In conclusion, tolterodine is an open-state blocker of hERG K+ channel with nanomolar potency. Y652 and F656, 2 aromatic residues on the inner S6 helix, are responsible for the high-affinity binding of tolterodine
to hERG channel.
研究领域:
药理学
·
分子生物学
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DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2019
·
IF 2.298
Renjie Xu,Li Shen,Jie Xu,Xiang’an Lu,Xin Song
The equilibrium solubility of palmatine chloride in various mixed solvents consisting of ethanol (ethylene glycol (EG), isopropyl alcohol, and propylene glycol (PG)) plus water was experimentally obtained by static technology with environment conditions (283.15–328.15 K, 101.1 kPa). The measured data of palmatine chloride had a proportional relationship with temperature under the condition of fixed solvent composition, the same as increasing with the increasing the cosolvents of ethanol and EG except for the isopropyl alcohol and PG in four binary systems. The maximum solubility (0.01339 in mole fraction at 328.15 K) of palmatine chloride was obtained in neat ethanol. Under the same solvent composition and regular temperature, palmatine chloride was most soluble in a mixture of ethanol + water among all binary systems. X-ray powder diffraction and differential scanning calorimetry were employed to analyze palmatine chloride, which showed no significant change in the crystals before and after recrystallization. Three cosolvency models, the Jouyban–Acree model, van’t Hoff–Jouyban–Acree model, and Apelblat–Jouyban–Acree model were employed to correlate the measured data. In all calculation results, the largest RAD and RMSD were 1.80 × 10–2 and 6.80 × 10–5.
研究领域:
药学化学
·
物理化学
·
材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Li Wang,Danning Li,Lingyu Wang,Hongxun Hao,Lina Zhou
In this research, the gravimetric method was utilized to measure the solubility of phenacetin from 283.15 to 323.15 K under atmospheric pressure in 12 solvents, including methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, ethyl formate, ethyl acetate, n-propyl acetate, N,N-dimethylacetamide, N,N-dimethylformamide, and acetonitrile. The solubility curves present an increasing trend with increasing temperature, and the mixing thermodynamic properties are also investigated in detail. Moreover, three thermodynamic models were used to correlate the experimental solubility data, and the fitting effect looks satisfactory as the average relative density is below 5%. The modified Apelblat model has the highest agreement with the experimental data compared with other models (λh model and NRTL model).
研究领域:
物理化学
·
热力学
·
药学
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DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2025
·Vol. 55
·期 3
·366-381
·
IF 1.3
Zhou Jinpeng,Du Yanping,Xie Peijing,Liu Bin,Xue Ning,Hou Haiyun,Wang Ning,Zheng Lina
The thermodynamic properties of electrolyte solutions elucidate the mechanisms of ionic interactions in solution. This study investigates the thermodynamic properties of the ternary systems containing cesium bromide (CsBr), water, and either 1,2-butanediol (1,2-BDO) or 1,4-butanediol (1,4-BDO) at 298.2 K utilizing potentiometric techniques. CsBr molalities were in the approximate range of 0.01 to 1 mol·kg −1 , and the mass fraction of 1,2-BDO/1,4-BDO in 1,2-BDO/1,4-BDO+H 2 O binary mixed solvents were 0, 0.10, 0.20, and 0.30. The Debye-Hückel model, the Pitzer model, along with the Nernst equation were explored to determine the thermodynamic parameters, which included the mean ionic activity coefficients ( γ ± ), osmotic coefficients ( φ ), excess Gibbs free energy ( G E ), standard Gibbs free energy of transference (Δ G
0 t
), and primary hydration number ( n hydr ). The results reveal that the γ ± of CsBr decreases with increasing the molality of CsBr and with increasing the mass fraction of 1,2-BDO and 1,4-BDO in the binary mixture. A positive value for the Δ G
0 t
signifies that the transfer of CsBr from pure water to the mixed solvent system is thermodynamically unfavorable and thus non-spontaneous. These findings can provide thermodynamic data to support potential industrial processes.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Hengli Ning,Hanyu Zheng,Yuqi Wang,Sisi Zhang,Long Li,Tong Pan,Yafei Guo,Tianlong Deng
Salt lakes are rich in boron, magnesium, potassium, lithium, and other elements of considerable industrial significance. Boron serves as a crucial tracer for investigating geological processes due to its high incompatibility and solubility. However, boron tends to form complex borates with other elements in salt lakes such as magnesium borates. The excessive accumulation of boron in brine, coupled with the phase transition of magnesium borate that releases boron, complicates the study of the boron cycle and contributes to environmental pollution. Therefore, investigating the phase transitions of borates and identifying stable solid phases at various temperatures are crucial for enhancing our understanding of the boron cycle and mitigating pollution in salt lakes. This paper investigated Mg2B6O11–H2O (308.15, 323.15 K) and Mg2B6O11–MgSO4 (5, 10, 20 and 30%)–H2O (308.15 K) systems via isothermal dissolution equilibrium, thermogravimetry, and X-ray diffraction. At 308.15 K, Mg2B6O11–H2O began converting to pinnoite at 237 h, reaching equilibrium at 1000 h; at 323.15 K, conversion started at 33.5 h and finished within 170 h. In MgSO4 solutions (5–30%), inderite remained stable for 68–94 days without transformation.
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产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2026
·
IF 9.1
Fuyu Li,Ziwei Li,Cuiping Wang,Hongwen Sun,Xuejiao Tang
The persistent accumulation of micro/nanoplastics (MNPs) in aquatic environments necessitates the development of efficient remediation technologies. Conventional biochar adsorbents face challenges including slow kinetics and poor adaptability in complex matrices. Herein, a magnetic sludge-derived biochar (MSDB) co-loaded with Fe₃O₄ and zero-valent iron was synthesized via a one-pot K₂FeO₄-assisted activation–magnetization pyrolysis of deashed sludge-derived biochar at 800 °C, where K₂FeO₄ served as the single additive to enable in-situ formation of Fe₃O₄/ZVI while promoting pore development, yielding a highly porous structure with a specific surface area of 123.58 m 2 ·g −1 . The MSDB exhibited exceptional performance for removing polystyrene microplastics (PSMPs, 0.1–1 μm), achieving a Langmuir model-fitted apparent maximum adsorption capacity (Q₀) of 440.24 mg·g −1 and rapid kinetics, thereby demonstrating its efficacy for polydisperse MP fractions commonly found in the environment. Multimodal characterization revealed synergistic adsorption mechanisms, including physical entrapment, π-π stacking, hydrophobic interactions, and weak interfacial electron redistribution. The MSDB maintained robust removal efficiency across a wide pH range (3−11) and in the presence of coexisting ions, organic matter, and antibiotics (sulfamethoxazole, SMX). Notably, the presence of SMX induced synergistic heteroaggregation, further enhancing PSMP capture. The material also showed outstanding performance in real water samples (tap water: 99.17%; lake water: 89.22%; seawater: 85.78%). Furthermore, the material exhibited excellent recyclability, retaining 75.5% of its initial capacity after five cycles, while enabling facile magnetic separation due to its sustained saturation magnetization (19.77 emu·g −1 ). This work provides a sustainable strategy for valorizing sewage sludge into a high-efficiency, magnetically recoverable adsorbent for microplastic remediation, aligning with circular economy principles. Future research should focus on large-scale continuous-flow applications and pilot-scale testing to validate its efficacy in end-of-pipe wastewater treatment.
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产品关联
DOI
高影响因子
Green Chemical Engineering
·
2026
·
IF 11.9
Jingjing Sun,Bo Chai,Haoren Chen,Suohe Yang,Guangxiang He,Shiyang Bai,Jihong Sun,Haibo Jin
Achieving the selective catalytic dimerization of the branched olefin via solid superbases remains a challenging yet sustainable strategy. In this study, a series of K/K 2 CO 3 solid superbase catalysts were rapidly prepared via the melt-loading method for the dimerization of isobutene (IBE) to 2,4,4-trimethyl-1-pentene (TP1). Carbonate vacancy concentration was readily tuned by regulating the pretreatment temperature of K 2 CO 3 . The screened 5%K/K 2 CO 3 -430°C catalyst, containing an appropriate amount of carbonate vacancies, achieved an isobutene conversion of 49.8% and a TP1 selectivity exceeding 80.9% under mild conditions (190 °C, 15 h), significantly outperforming conventional solid acid catalysts. Characterization results demonstrate that the carbonate vacancies (anion lattice defects) induced by optimal pretreatment temperature generate more coordinatively unsaturated oxygen (CUO) sites on the surface. These sites substantially strengthen the metal-support interaction (MSI, in a broad sense) between K and K 2 CO 3 , thereby enhancing the electron-donating ability of the superbasic sites. DFT calculations further reveal that the loaded metallic K promotes electron transfer to IBE through electron density redistribution and the semi-encapsulation configuration of K atoms in tri-oxygen hollow sites, enabling efficient activation of isobutene. In situ DRIFTS detects allylic anion intermediates, confirming that the reaction proceeds via a radical-anion pathway. This study provides a facile and effective approach for the efficient preparation of solid superbases and the construction of defect engineering in catalysts, offering new insights into the design of high-performance catalysts for green olefin conversion.
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DOI
高影响因子
ACS Applied Nano Materials
·
2026
·Vol. 9
·期 33
·15886-15898
·
IF 5.8
Qi Yexiong,Zhao Zimeng,Chen Li,Li Tingting,Lin Ligang,Zhou Zena,Zheng Yong
The all-textile piezoelectric sensor,
capable of achieving
high-sensitivity
pressure sensing while meeting the requirements of wearability, comfort,
and structural flexibility, holds great significance for intelligent
wearable motion monitoring. In this study, MXene was employed to induce
the transition of polyacrylonitrile (PAN) molecular chains from a
3 1 helical conformation to a planar zigzag conformation,
which significantly enhanced the piezoelectric output performance.
Under an impulse force of 7 N at 1 Hz, the sensor exhibited an output
voltage of 34.1 V, with a sensitivity of 1.51 V/N over the range of
1–9 N. The silver-based knitted fabric electrode (silver-knitted
fabric) was knitted on a computerized flat-knitting machine, fully
leveraging the advantages of the knitted electrode, including high
conductivity (resistance of only 4.2 Ω), high air permeability
(1235 mm/s), and excellent structural flexibility. The electrospun
MXene/PAN/K-BTO composite nanofiber membrane was subsequently integrated
with the silver-based knitted fabric electrode to construct an all-textile
flexible piezoelectric sensor with a three-layer sandwich structure.
After 2000 consecutive impact cycles, the sensor output signal remained
stable without any attenuation. The sensor accurately identified various
human motion patterns, including finger bending (approximately 0.08
V), elbow flexion and extension, and walking gait (approximately 18.1
V). Owing to its excellent skin adherence and high sensitivity to
subtle movements, this sensor provides an effective monitoring tool
for intensive care and consciousness recovery assessment. Furthermore,
it holds promising potential for applications in sports health monitoring
and human–computer interaction, offering solutions for next-generation
embodied intelligence and personalized health monitoring systems.
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产品关联
DOI
高影响因子
COMPOSITES PART B-ENGINEERING
·
2025
·
IF 14.2
Xinhui Geng,Ping Hu,Yanchun Zhou,Xiaoguang Luo,Haitao Han,Fei Wang,Anqi Li,Chengfan Yuan,Wuju Wang,Xinghong Zhang
Ultra-high temperature thermal protection materials play key roles for protecting hypersonic flight, re-entry vehicles, and propulsion systems from thermal attack. However, even the top-level passive protection materials such as C f /HfB 2 -SiC composites are unable to withstand the long-term harsh-environment above 3100 K as they suffer severe ablations. To overcome this bottleneck, herein a synergistic active-passive strategy is proposed. Embed aligned cooling channels were fabricated via microelectrical discharge machining (Micro-EDM) in C f /HfB 2 -SiC composite and liquid water was used as the cooling medium, forming an integrated system combining the composite’s passive ablation resistance and the channels’ active temperature regulation capability. Benefiting from this novel strategy, the surface temperature was significantly reduced by 46% (from over 3100 K to below 1700 K). Furthermore, a qualitative leap in ablation resistance was achieved, e.g., the ablation rate was dropped from 5.12×10 -3 mm/s to a non-ablation state after 400 s at such a high temperature, with almost no surface oxidation. These achievements were believed to stem from the synergistic coupling of the “passive barrier” (high melting point, good ablation resistance) and the liquid water’s “active reinforcement” (enhanced surface heat transfer). Notably, for 0.4 mm-diameter channels, heat and mass transfer were optimized, blockages and pressure fluctuations were mitigated, ensuring the cooling stability. This work demonstrates that the 3100 K ablation resistance limit of thermal protection materials can be broken, providing a promising route for developing materials suitable for service at temperatures above 3100 K, and lays a solid foundation for upgrading thermal protection in next-generation propulsion systems.
研究领域:
材料科学
·
航空航天工程
·
热防护系统
·
高温材料
·
高超声速技术
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Hongxia Li,Lijiang Guo
The solubility and phase diagram of the CsCl–MgCl2–H2O ternary system, at a relatively wide temperature range, are significantly important for the extraction of the cesium resources from salt lakes. The isothermal dissolve equilibrium (IDE) method was used to determine the solubility of this ternary system at T = 273.15, 308.15, and 348.15 K, which have not been reported yet. The measured results indicated that the equilibrium solid phases in this ternary system from T = 273.15 to 348.15 K are CsCl, double salt CsCl·MgCl2·6H2O, and MgCl2·6H2O, and correspondingly there are three crystal regions and two cosaturated points for these solid phases. The solubility of the salt increased with the increase of the temperature, and the double salt CsCl·MgCl2·6H2O and CsCl crystal regions also became larger with the increasing temperature. However, the crystal regions of the MgCl2·6H2O solid phase are not enlarged obviously. Based on the solubility and phase diagram of CsCl–MgCl2–H2O at different temperatures, the separation process of CsCl resources has been proposed.
研究领域:
化学
·
材料科学
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DOI
高影响因子
危险品化学品经营许可证（带存储）