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.
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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).
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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.
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PubMed
高影响因子
FLUID PHASE EQUILIBRIA
·
2014
·
IF 2.241
Xuehong Zhao,Shu’ni Li,Quanguo Zhai,Yucheng Jiang,Mancheng Hu
This article deals with the mean activity coefficients of LiCl in amide–water mixtures with both ɛ -increasing co-solvent (urea–water, N -methylformamide–water), and ɛ -decreasing co-solvent ( N , N -dimethylformamide–water, N , N -dimethylacetamide–water) systems at 298.15 K by potentiometric method. Meanwhile, thermodynamic properties including the osmotic coefficients, the excess Gibbs free energy, the standard solubility product, the primary LiCl hydration number and the standard free energy of transference from water to the mixtures were also calculated. The nonideal behavior of these systems has been discussed in terms of the Pitzer, the Modified Pitzer and the extended Debye–Hückel equations parameters.
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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.
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高影响因子
APPLIED PHYSICS LETTERS
·
2022
·Vol. 121
·期 20
·
IF 3.971
Guan Xiaoli,Li Hongjiang,Yu Zhiyuan,Yu Xiaohan,Jin Shuaizhao,Gu Xin,Liu Xiang
A series of La 0.7 K 0.3− x Sr x MnO 3 (0.00 ≤ x ≤ 0.3) films were fabricated on LaAlO 3 substrates using a sol-gel spin-coating technique. The relationship between electrical transport properties and a microstructure was explained via the Jahn–Teller effect, a phenomenological percolation model, and a double-exchange mechanism. The results revealed the strong impact of K and Sr co-occupying A-sites on the formation of Mn 3+ /Mn 4+ pairs, crystal structure, conductivity, surface morphology, and in-plane and out-of-plane strains. The as-fabricated La 0.7 K 0.25 Sr 0.05 MnO 3 films showed a peak temperature coefficient of resistivity of 16.63% K −1 at 298.3 K.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Jingli Sun,Xuqiang Li,Lu Chen,Yujie Zhen,Siyu Zheng,Shaolong Dong,Yingmin Yu
In order to reduce the impact of nitrogen-containing compounds in oil products on the environment, this paper selected n-heptane as the oil product model and pyridine as the nitrogen-containing compound. Four inexpensive extractants (furfuryl alcohol, 1,4-butanediol, N,N-dimethylacetamide, and dimethyl sulfoxide) were selected as the extractants to separate pyridine from the oil model at 303.2 K, and the liquid–liquid equilibrium (LLE) data were measured. The partition coefficients (D) and separation coefficients (S) of the extractants were calculated and used to evaluate the extractants. Based on the LLE data, correlations were performed using NRTL and UNIQUAC models, and the interaction parameters of the corresponding optimization models were obtained. The root-mean-square deviation (RMSD) values of the NRTL and UNIQUAC models were 0.98% and 1.09%, respectively. The GUI-MATLAB tool was selected to evaluate the accuracy of the binary interaction parameter regression by a Gibbs energy topology analysis. To probe the underlying mechanism of the extraction process between the extractants and pyridine, the σ-profile was used to analyze the interaction patterns between the extractants and pyridine. Given their high extraction efficiency, the studied extractants can be considered as potential extractants for extractive denitrification processes.
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产品关联
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高影响因子
Additive Manufacturing
·
2025
·
IF 11.1
Junli Liu,Shipeng Zhang,Lucen Hao,Bo Wu,Kaiyin Zhao,Chi Sun Poon
Carbon dioxide (CO 2 ) has been increasingly applied to modify the fresh and rheological properties of cement mortars and concrete, enhancing the mortars’ mechanical properties through CO 2 capture. For 3D printing, most research has adopted the 1 K (one-component) printing system for CO 2 -integrated cement mortar prepared by batch mixing. In contrast, limited work has been conducted on mortars subjected to CO 2 flash mixing in the 2 K (two-component) system, where pumped fresh mortar was mixed with continuously injected CO 2 within a timeframe of seconds during secondary mixing. In this paper, we report the development of a novel low-carbon cement mortar mixture consisting of ordinary Portland cement (OPC), ground granulated blast furnace slag (GGBS) and calcium hydroxide (CH) in binders that exhibited instant change in rheological properties and rapid stiffening when subjected to CO 2 flash mixing. The rheological properties of the CO 2 -mixed mortar improved with increasing proportions of GGBS and CH in the mortar mix. In-situ chord length measurements suggested that the improved rheological properties of the mortar after CO 2 flash mixing were related to the rapid growth of fine CaCO 3 crystals, driving subsequent particle flocculation. The instant flocculation was primarily attributed to electrostatic attraction between particles with opposite surface charges in the OPC-GGBS-CH system induced by CO 2 flash mixing.
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高影响因子
Journal of Materials Chemistry C
·
2017
·Vol. 5
·期 47
·12422-12429
·
IF 5.256
T. T. Deng,E. H. Song,Y. Y. Zhou,L. Y. Wang,Q. Y. Zhang
Three isotypic double perovskites A2BAlF6:Mn4+ (A = Rb, Cs; B = K, Rb) were synthesized via a facile co-precipitation method at room temperature. XRD Rietveld refinements and Raman spectra indicate that the neighboring smaller A-site or larger B-site cation in A2BAlF6:Mn4+ lowers structural stability, but suppresses the [AlF6] octahedron to increase the crystal field strength and bond strength of the Al–F bond. Cs2KAlF6:Mn4+ presents a sharp line red light and excellent moisture resistance, but experiences severe thermal quenching. In comparison, altering the A- or B-site cation to Rb, Rb2KAlF6:Mn4+ and Cs2RbAlF6:Mn4+ shows blue shifts in emission and declining water resistance, but enhancements in thermal stability. A combination of static and dynamic emission degradations demonstrates that the water resistance of Mn4+ emission mainly relies on the structural stability of the host matrix; meanwhile, the thermal stability highly depends on the rigidity of its local accommodation. The variations of the temperature-dependent white light-emitting diode (WLED) performances further evidence their sufficient thermal stability for LED applications. These findings suggest that neighboring-cation modulation might be a feasible guideline for exploiting stable Mn4+-activated fluoride red phosphors in warm WLED applications.
研究领域:
材料科学
·
光学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2022
·
IF 3.269
Song Lin,Mingyi Xu,Mai Han,Houchun Yan,Yufan Pang,Qingsong Li
The liquid–liquid equilibrium (LLE) data of water + 1,2-Dimethoxyethane (DME) + {isopropyl ether, 1-hexanol, n-heptanol and 4-methyl-2-pentanol (MIBC)} was measured at 303.2 K under 101.3 kPa. The distribution coefficient (D) and selectivity factor (S) based on the experimental data were calculated, and use this to evaluate the extraction effect of the four solvents. Using two thermodynamic models of NRTL and UNIQUAC to fit the experimental data, and obtained the binary interaction parameters. The root means square deviation (RMSD) of the fitting results were all less than 0.75%. The GUI-MATLAB tools were applied to verify the consistency of the binary interaction parameters.
研究领域:
化学工程
·
物理化学
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高影响因子
Carbon Neutralization
·
2024
·Vol. 3
·期 6
·1131-1139
·
IF 0
Ling Bai,Su Jin,Qian Liu,Wenjuan Xu,Ziquan Li,Zhen-Dong Huang
Searching for low-cost, high-capacity, high-power, high-stability, high-tap-density, and inherently safe materials for developing cheap, safe, and high-performance batteries has always been a research hotspot. Herein, an inherently safe, low-cost, and low-strain KTiOPO 4 (KTOP) submicron single crystals with a uniform thin layer carbon coating are developed using a ball-mill assisted solid-state method. Uniform solid electrolyte interphase, carbon coating, and inherently stable structure synergistically help compact KTOP submicron single crystals achieve an exceptional anodic K-ion storage performance. The carbon-coated KTOP single crystals obtained under the carbonization temperature of 400°C (KTOP-C-400) can deliver an exceptional potassium ion storage performance of 253.3, 224.0, 175.5, and 131.1 mA h g −1 at the current density of 100, 200, 500, and 1000 mA g −1 , respectively, in the electrolyte of 5 M potassium bis(fluorosulfonyl)imide (KFSI) in DIGLYME electrolytes. Even after being cycled at 1000 mA g −1 for 1000 cycles, the capacity was maintained at 182.5 mA h g −1 with a coulombic efficiency of 99.9%.
研究领域:
材料科学
·
储能
·
电化学
·
电池技术
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Materials Advances
·
2022
·Vol. 3
·期 15
·6171-6178
·
IF 0
Mingsheng Cai,Tianchun Lang,Tao Han,Damir Valiev,Shuangqiang Fang,Houjiang You,Bitao Liu,Ling Du,Zichao Xu,Elena F. Polisadova
Investigating narrow-band green emitting phosphors with high efficiency and good thermal stability is the main goal of the present light-emitting diode (LED) display research. Here, Ba1−xCaxScO2F:0.001Bi3+,0.001K+ (x = 0–0.12) perovskite phosphors, emitting narrow green light excited by a 415 nm chip, were developed using the cation substitution design strategy. The effects of Ca2+ substitution for Ba2+ in the Ba1−xCaxScO2F:0.001Bi3+,0.001K+ crystal structures and photoluminescence properties were investigated. All the phosphors show the cubic perovskite-type structure in the space group Pm3m. The evolution of the cell parameters and the Ba/Ca/K/Bi–O bond lengths were evaluated. The phosphors with the internal quantum efficiency of 77.4% exhibit bright green emission peaking at 510 nm under 415 nm chip excitation. The improvement of luminescence efficiency and thermal stability was discussed in detail in relation to the local structure variation. The cation substitution design strategy mentioned here can become an important approach to realize the spectral modulation through controlling the micro-environment in the lattice for excellent LED backlight displays.
研究领域:
材料科学
·
光学工程
·
无机化学
·
固体物理
·
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