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CHEMOSPHERE · 2022 · IF 8.943

Construction of Li/K dopants and cyano defects in graphitic carbon nitride for highly efficient peroxymonosulfate activation towards organic contaminants degradation

Xueyan Liu,Minshu Cui,Kangping Cui,Yan Ding,Xing Chen,Changbin Chen,Xianbao Nie

As an emerging peroxymonosulfate (PMS) activation catalyst, graphitic carbon nitride (g-C 3 N 4 ) is non-toxic and eco-friendly, while its poor catalytic performance hinders the application of pristine g-C 3 N 4 . Herein, a simple LiCl/KCl molten salts-assisted thermal polymerization method was adopted to promote the photocatalytic performance of g-C 3 N 4 . With the insertion of Li/K dopants and the introduction of surface cyano defects, the modified catalyst exhibited greatly enhanced ability on PMS activation towards acetaminophen removal, observing a 13 times higher rate constant than pristine g-C 3 N 4 (k = 0.0435 min −1 vs. 0.0033 min −1 ). The main reactive oxygen species for pollutant degradation were identified as sulfate radicals and singlet oxygen. The wavefunction analysis at excited states based on density functional theory suggests that the introduction of cyano defects greatly promotes the separation of photo-generated electron-hole pairs, thereby achieving higher photocatalytic efficiency. In addition, the doping of Li/K significantly enhances the interaction between PMS and the catalyst surface, and orients the electron transfer from PMS to catalyst to generate non-radical species singlet oxygen, which improves the catalyst resistance to anions-containing water matrices.

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ANALYTICAL CHEMISTRY · 2022 · IF 8.008

Combination of Electrochemistry and Mass Spectrometry to Study Nitric Oxide Metabolism and Its Modulation by Compound K in Breast Cancer Cells

Mingyue Zhao,Xin Liu,Yuzhu Hou,Tongtong Yang,Jiaquan Xu,Rui Su

The levels of l-arginine and asymmetric dimethylarginine (ADMA) and the amount of the nitric oxide (NO) production have recently been linked to breast cancer and pharmaceutical effect evaluation. Herein, a method combining electrochemistry and high-resolution mass spectrometry (HRMS) was established and used to study NO metabolism and its modulation by ginsenoside compound K (CK) in breast cancer cells. Platinum nanoparticles-decorated fluorine tin oxide was employed as an electrochemical sensor for in situ detection of NO release, while HRMS was used for the analysis of the NO-related metabolites. Through the combination of the electrochemical and HRMS results, decreases in arginine and NO and increases in ADMA and ornithine were observed after modulation by CK, and two highly correlated metabolic pathways including arginine and proline metabolism and vascular smooth muscle contraction were found. This method offers a new strategy for fast evaluation of pharmaceutical efficacy based on NO metabolism.

CAS / MDL: 74-79-3 18497-13-7
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Measurements of Solid–Liquid Equilibria in the Quaternary Systems LiBr–NaBr–KBr–H2O and LiBr–KBr–SrBr2–H2O at 308.15 K

Xiao-Feng Guo,Shi-Hua Sang,Chao Ye

The underground brines in the Sichuan basin of China are rich in many valuable components, such as Li+, K+, Sr2+, Br–, and others. In view of comprehensive utilization of the underground brines, the stable solid–liquid equilibria of the quaternary systems LiBr–NaBr–KBr–H2O and LiBr–KBr–SrBr2–H2O at 308.15 K were measured by the isothermal dissolution equilibrium method. The results show that both phase diagrams of the quaternary systems listed above are hydrate-type. Both equilibrium phase diagrams are composed of two invariant points, five univariant curves and four crystallization fields. The equilibrium solid phases in the first quaternary system are LiBr·2H2O, NaBr·2H2O, NaBr, and KBr, respectively, and those in the second quaternary system are LiBr·2H2O, SrBr2·6H2O, SrBr2·2H2O, and KBr. In both phase diagrams, the crystallization field of KBr is the largest, while that of LiBr·2H2O is the smallest. The results indicate that KBr is the easiest to be separated from the saturated solution in the two quaternary systems. Furthermore, the comparison of phase equilibria of the quaternary systems and its ternary subsystems at different temperatures is presented and discussed in detail.

CAS / MDL: 7550-35-8 7789-53-9
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Nano Energy · 2021 · IF 17.881

Insight into the coordinating mechanism of multi-electron reaction and structural stability induced by K+ pre-intercalation for magnesium ions batteries

Shiqi Ding,Xin Dai,Yuxin Tian,Bo Song,Lei Wang,Guicun Li,Shaoxiang Li,Jianfeng Huang,Zhenjiang Li,Alan Meng

Multi-electron reaction as the appealing alternative can offer higher specific capacity, however, it delivers a tendency to collapse the structure causing cycling instability. Herein, K + pre-intercalation strategy is applied to modify VS 4 /N-TG as cathode for MIBs . As opposed to the structural breakdown caused by multi-electron reaction, pre-intercalated K + not only modulate electronic state, making V 2+ present as instead of partial V 4+ achieving multi-electron reaction, but also act as pillar ions for coordinating the interaction of guest-ions with adjacent host ions to strengthen the framework to maintain structural stability, therefore, K 0.20 VS 4 /N-TG delivers high specific capacity of 190 mAh g –1 , and excellent cycling stability with about near 100% capacity retention after 2000 cycles. This finding gives insights into enabling multi-electron transfer reaction while achieving high structural stability via K + pre-intercalation, shed light on designing viable multi-electron reaction in intercalation type cathode without destroying stable structure for high performance magnesium ions batteries.

CAS / MDL: 7803-55-6
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Solid − Liquid equilibria of two quaternary systems LiBr–NaBr–Li2SO4–Na2SO4–H2O and LiBr–KBr–Li2SO4–K2SO4–H2O at 298.15 K

Rui-Zhi Cui,Yong-Ming Zhang,Ya-Ping Dong,Wu Li

In this paper, the solubility of unreported systems LiBr–NaBr–Li 2 SO 4 –Na 2 SO 4 –H 2 O, LiBr–KBr–Li 2 SO 4 –K 2 SO 4 –H 2 O and the subsystem LiBr–Li 2 SO 4 –H 2 O was measured by isothermal dissolution method at 298.15 K. Three phase diagrams are also given. It was found that the diagram of LiBr–Li 2 SO 4 –H 2 O system has only one invariant point of LiBr·2H 2 O + Li 2 SO 4 ·H 2 O. The phase diagram of LiBr–NaBr–Li 2 SO 4 –Na 2 SO 4 –H 2 O system includes eight crystallization regions LiBr·2H 2 O, Li 2 SO 4 ·H 2 O, NaBr·2H 2 O, NaBr, Na 2 SO 4 ·10H 2 O, Na 2 SO 4 , Li 2 SO 4 ·3Na 2 SO 4 ·12H 2 O, and Li 2 SO 4 ·Na 2 SO 4 . Five crystallization regions corresponded to two single salts KBr and K 2 SO 4 , two hydrate salts Li 2 SO 4 ·H 2 O and LiBr·2H 2 O, and one double salt Li 2 SO 4 ·K 2 SO 4 in LiBr–KBr–Li 2 SO 4 –K 2 SO 4 –H 2 O system. The relevant Pitzer parameter was obtained and the result predicted by Pitzer model was consistent with the experimental values.

CAS / MDL: 7758-02-3 7757-82-6
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Measurement and Correlation of Solubilities of Isophthalic Acid and m-Toluic Acid in Different Organic Solvents from 287.65 to 347.45 K

Yangyi Huang,Yuning Zhang,Haoran Liu,Weiping Luo

In this study, the solubilities of isophthalic acid (IPA) in N-methylformamide (NMFM), N-methylformanilide (NMFL), propanoic acid (PA), sulfolane, and dimethyl sulfoxide (DMSO) and m-toluic acid (m-TA) in acetone, cyclohexanone (CYC), 1-methyl-2-pyrrolidinone, NMFM, NMFL, N,N-dimethylformamide, PA, sulfolane, and DMSO were determined by the dynamic laser method at atmospheric pressure (101.2 kPa), and the solubility ratios between IPA and m-TA in different solvents were calculated. The temperature range of the experiment was between 290.15 and 348.15 K, in which the solubilities of IPA and m-TA in selected solvents were positively correlated with temperature. The maximum ratio between the mole fraction of solubilities of m-TA and IPA was in CYC and ranged from 68 to 84 for the temperature range under study. The experimental data were correlated by the Apelblat model, the Buchowski–Ksiazczak λh model, and the modified nonrandom two-liquid (NRTL) activity coefficient model.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Surface Tension Measurements by Pendant Drop Method of 10 Pure Long-Chain Alkanes and Alcohols for Temperatures up to 573.15 K

Jian Yang,Jiangtao Wu,Shengshan Bi

As the main components of synthetic hydrocarbons obtained using gas to liquid conversion technologies, long-chain alkanes and alcohols play an important role in the Fischer–Tropsch process. So the reliable surface tension data of these fluids are significant for the understanding and eventual improvement of synthesis efficiency. In the present study, a new high temperature and high pressure pendant drop apparatus was developed and tested with n-heptane at temperatures from (303.15 to 473.15) K, and a good agreement between the experimental data and the literature data could be found. With the new apparatus, the experimental surface tension measurements of n-dodecane, n-hexadecane, 2,2,4,4,6,8,8-heptamethylnonane, n-octacosane, squalane, 1-dodecanol, 1,12-dodecandiol, 2-butyl-1-octanol, 1-hexadecanol and 2-hexyl-1-decanol were performed under saturation conditions over the temperature range from 303.15 K (348.15 K for n-octacosane and 1-hexadecanol, 373.15 K for 1,12-dodecandiol) to 573.15 K. The combined expanded uncertainties of temperature and surface tension with a level of confidence of 0.95 (k = 2) are estimated to be 20 mK and less than 1.5% over the entire temperature, respectively. Furthermore, the surface tension data were correlated with the modified van der Waals equation, and the average absolute deviations are within 0.65%. On the basis of the correlations, the comparisons of our experimental data with the available literature data were discussed, and the satisfactory agreement revealed that the experimental results of this work were reliable and reasonable.

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CHEMICAL RESEARCH IN CHINESE UNIVERSITIES · 2020 ·Vol. 36 ·期 6 ·1234-1240 · IF 1.063

Measured and Predicted Solubility Phase Diagrams of Quaternary Systems LiBr-NaBr-MgBr2-H2O and LiBr-KBr-MgBr2-H2O at 298.15 K

Cui Ruizhi,Li Wu,Dong Yaping,Li Jun

The stable phase equilibria of quaternary systems LiBr-NaBr-MgBr 2 -H 2 O and LiBr-KBr-MgBr 2 -H 2 O at 298.15 K were studied by both experimental measurement(isothermal solution saturation method) and theoretical prediction(Pitzer model). The solubilities of the saturated solution have been determined experimentally and two stable phase diagrams and relevant water diagrams of the two quaternary systems were obtained. Results show that quaternary system LiBr-NaBr-MgBr 2 -H 2 O is hydrate II type as NaBr and NaBr·2H 2 O coexistence. Its phase diagram consists of only one invariant point, four univariant curves, and five crystallization fields. The quaternary system LiBr-KBr-MgBr 2 -H 2 O is a complex type as the double salt KBr·MgBr 2 ·6H 2 O formed. In addition to this double salt, the three single salts LiBr·2H 2 O, KBr and MgBr 2 ·6H 2 O also crystallize. In this paper, the solubilities of phase equilibria in above quaternary systems were also calculated by the Pitzer’s electrolyte solution model. All the needed parameters can be obtained from the literature or be fitted by experimental data. On the Basis of the experimental and calculated results, the phase diagram of the quaternary system was plotted for comparison. It shows that the calculation results are consistent with the experimental ones.

CAS / MDL: 7758-02-3
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CATALYSIS LETTERS · 2020 ·Vol. 150 ·期 8 ·2437-2445 · IF 2.482

In situ XRD and Raman Investigation of the Activation Process over K–Cu–Fe/SiO2 Catalyst for Fischer–Tropsch Synthesis Reaction

Yang Zhi,Luo Mingsheng,Liu Qinglong,Shi Buchang

A potassium- and copper-modified iron-based catalyst (K–Cu–Fe/SiO 2 ) was synthesized by the co-precipitated method. The general structural properties of the catalyst were characterized with various techniques, including SEM, XRD, H 2 -TPR, N 2 adsorption–desorption and Raman spectroscopy. The results reveal that the fresh catalyst is mainly composed of α-Fe 2 O 3 phase with rod-shaped morphology formed by nanoparticles. The effect of activation process on the Fischer–Tropsch synthesis catalytic performance was then investigated. It shows that activation process has an important influence on the reactive stability. The in situ XRD and in situ Raman spectroscopy were used to study the structural changes of the Fe-based catalyst during reduction and reaction processes. The Fe 2 C iron carbide as the main active phase was observed after reduction process. Graphic Abstract

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ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS · 2020 ·Vol. 235 ·期 4 ·451-466 · IF 2.03

Separation of K2CO3 from Li+ Brine with Aid of CO2 and Trace of Metastable Quaternary System Li+–K+–CO32−–HCO3−–H2O

Yuli Xue,Yan Zhang,Xiaoling Tan,Wenqing Li,Zhongshu Li,Shaonan Xu,Peng Zhang,Jian Wang,Peiping Zhang,Shiding Miao

It is of importance to reclaim single-salt of potash from Li + -type brines of low concentration. In this work the potassium salts KHCO 3 was efficiently separated from the lithium carbonate-type brines with the aid of CO 2 carbonation. The phase field was provided in which the precipitation of KHCO 3 occurs and single-salt of potassium can be obtained. The low concentration of [Li + ] was also successfully concentrated to a high level (8.1 g/L), and this concentration can be used as sources for Li + -salts production using pre-developed strategies, which looks forward wider applications of the lithium resources of natural brine. This state-of-art was traced via isotherm evaporation on the quaternary system of Li + –K + –CO 3 2− –H 2 O at 298.15 K in which the carbonation steps were performed by CO 2 . Metastable phase diagram was found to consist of three invariant points, seven univariant curves, and four crystallization fields corresponding to Li 2 CO 3 , KHCO 3 , potassium carbonate sesquihydrate (K 2 CO 3 ⋅ 3/2H 2 O), and a potassium carbonate and potassium bicarbonate double salt (K 2 CO 3 ⋅ 2 KHCO 3 ⋅ 1.5H 2 O). There was no crystallization field corresponding to LiHCO 3 . The pH-composition diagram and density-composition diagram were also plotted. This work was carried out in aim of extracting/separating single salts of alkali metals from carbonate-type brines of west China.

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Journal of Materials Chemistry C · 2020 ·Vol. 8 ·期 22 ·7476-7484 · IF 7.059

Design and development of HMS@ZIF-8/fluorinated polybenzoxazole composite films with excellent low-k performance, mechanical properties and thermal stability

Xudong Zhou,Xiaoyun Liu,Zhongkai Cui,Jinlou Gu,Shaoliang Lin,Qixin Zhuang

A new-type of hollow silica@ZIF-8 (HMS@ZIF-8) particle was successfully designed, fabricated and introduced into the fluorinated polybenzoxazole (6FPBO) matrix to prepare the HMS@ZIF-8/6FPBO composite film. Metal–organic frameworks (MOFs) were connected to the surface of hollow silica via covalent bonds, leading to the formation of a shell. Pre-6FPBO prepared from a precursor could be dissolved in organic solvents besides strong corrosive acids, which could protect the filler. HMS@ZIF-8/6FPBO composite films prepared through in situ polymerization and coating exhibited outstanding properties. At both high and room temperatures, the material exhibited excellent dielectric properties. The dielectric constant and dielectric loss decreased down to 2.12 and 0.04, respectively under 1 kHz with the filling of HMS@ZIF-8 particles. HMS@ZIF-8 particles as a filler, evenly dispersed in the matrix, could also improve the tensile modulus of 6FPBO. The tensile modulus of HMS@ZIF-8/6FPBO (6 wt%) increased up to 2.11 GPa, 54% higher than that of the pure 6FPBO matrix. Meanwhile, the composite films demonstrated excellent thermal stability, i.e. the 5% weight loss temperature was higher than 520 °C. This is the first report on MOFs being applied as low dielectric absorbing materials. We believe that the HMS@ZIF-8/6FPBO composite film designed and developed based on this strategy is suitable to be employed in large-scale integrated circuits owing to its excellent dielectric performance, mechanical properties and thermal stability.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Solubility Measurement, Correlation, and Thermodynamic Analysis of N-Acetyl-l-leucine in 12 Pure Organic Solvents from 283.15 to 323.15 K

Shengzheng Guo,Yang He,Gang Wang,Weibing Dong,Xuxing Wan,Yanxiao Zhao,Shichao Du

The solubility of N-acetyl-l-leucine in 12 mono organic solvents (methanol, ethanol, n-propanol, 2-propanol, 1-butanol, isobutanol, 2-butanol, methyl acetate, ethyl acetate, propyl acetate, acetone, and acetonitrile) was determined by the gravimetric method over the temperatures ranging from 283.15 to 323.15 K at 0.1 MPa. The solubility of N-acetyl-l-leucine in each experimental solvent increases with increasing temperature. Moreover, the solubility is an order of magnitude higher in alcohol solvents than in other solvents, which is mainly attributed to the hydrogen bond formation. In addition, the experimental solubility data are correlated by three models, including the modified Apelblat equation, λh equation, and the nonrandom two-liquid (NRTL) model. All of the average relative deviation % values are less than 3.72%, which indicates that the three models have satisfactory correlations. Furthermore, the mixing thermodynamic properties of N-acetyl-l-leucine in 12 mono solvents including ΔmixG0, ΔmixH0, and ΔmixS0 are calculated based on the NRTL model, indicating that the mixing process was spontaneous.

CAS / MDL: 1188-21-2
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