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JOURNAL OF CHEMICAL THERMODYNAMICS · 2023 · IF 2.6

Phase equilibria and phase diagrams of the ternary system (NaNO3 + RbNO3 + H2O) at 298.15 and 338.15 K: Experimental and application

Xiaomeng Liu,Mengying Chen,Guoyuan Xiong,Yafei Guo,Lingzong Meng,Tianlong Deng

The phase equilibria of the ternary system at 298.15 and 338.15 K were investigated by the isothermal dissolution equilibrium and wet-reside solid phase (Schreinemarkers rule) methods. The solubilities and the physicochemical properties containing density and refractive index were obtained experimentally. Then, the phase diagrams and the diagrams of physicochemical properties against the composition in the ternary system at two temperatures were proposed. The phase diagrams of this system at two temperatures contain two invariant points, three solubility curves, and three crystallized regions corresponding to NaNO 3 , RbNO 3 and double salt NaRb 2 (NO 3 ) 3 . According to the phase diagrams at 298.15 and 338.15 K, a novel separation process of RbNO 3 from the mixture solution of NaNO 3 was established for the first time, and the separation rate of RbNO 3 in the mixed solution reached 43.75% in a single yield. This work provides an efficient and reliable RbNO 3 green recovery method from the eluent solution of NaNO 3 efficiently.

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BIOSENSORS & BIOELECTRONICS · 2023 · IF 12.6

A fluorescence-electrochemiluminescence dual-mode sensor based on a "switch" system for highly selective and sensitive K-ras gene detection

Longshua Qin,Ting Huang,Hanfeng Cui,Mengqing Cheng,Guobing Wei,Fusheng Liao,Wei Xiong,Hedong Jiang,Jing Zhang,Hao Fan

Herein, an fluorescence (FL)−electrochemiluminescence (ECL) dual-mode biosensor is constructed based on the dual-signal “turn-on” strategy of functionalized metal-organic frameworks nanosheets (RuMOFNSs)-tetraferrocene for K-ras gene detection, and the mechanism of bursting through front-line orbital theory is explained for the first time. Amino-functionalized tetraferrocene-labeled probe DNA molecules are linked to RuMOFNSs by covalent amide bonds, acting as FL and ECL intensity switches. The target DNA, complementary to the probe DNA, triggers cyclic amplification of the target by nucleic acid exonuclease III (Exo III), repelling tetraferrocene reporter groups away from RuMOFNSs and inhibiting the electron transfer process and photoinduced electron transfer (PET) effect. These phenomena induce a double turn-on of FL and ECL signals with a high signal-to-noise ratio. The developed FL-ECL dual-mode sensing platform provides sensitive detection of the K-ras gene with detection limits of 0.01 fM (the detection range is 1 fM to 1 nM) and 0.003 fM (the detection range is 0.01 fM to 10 pM), respectively. In addition, the proposed dual-mode sensor can be easily extended to detect other disease-related biomarkers by changing the specific target and probe base sequences , depicting potential applications in bioanalysis and early disease diagnosis.

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CERAMICS INTERNATIONAL · 2023 · IF 5.2

Temperature-stable and medium-high K of Ti/W co-doped M-phase LNT microwave ceramics for LTCC dielectric devices

Xiaohui Wu,Jingkang Xu,Yulan Jing,Yuanxun Li,Hua Su

The increasing demand for miniaturized electronic devices requires the development of advanced medium-high K materials. In this work, novel (Ti 1/2 W 1/2 ) 5+ -substituted LiNb 0.6- x (Ti 1/2 W 1/2 ) x Ti 0.5 O 3 (LNT- x TW, 0 ≤  x  ≤ 0.12) ceramics were successfully prepared by the solid-state method. The increase in TW content led to the formation of LNT-0.08 TW ceramic with medium-high K and high Q ×  f after sintering at 1050 °C. This ceramic also recorded improved characteristics with ε r ∼53.84, Q ×  f ∼7482 GHz and τ f ∼43.43 ppm/°C related to ionic polarizability, large grains, high densification, and [Ti 2 O 3 ] 2+ / N layers. In addition, Li 2 O–B 2 O 3 –SiO 2 –CaO–Al 2 O 3 (LBSCA) used as an effective sintering aid, improved densification and promoted sintering by not only decreasing the temperature to 900 °C, but also enhancing the microwave dielectric properties with ε r ∼49.46, Q ×  f ∼8149 GHz, and τ f ∼12.04 ppm/°C. The Q ×  f value was estimated to 1.15 ∼ 2-fold higher than other LNT-based ceramics within stable τ f . More encouragingly, the LNT-0.08 TW ceramic also showed good chemical match with Ag, suggesting usefulness for miniaturized LTCC devices.

CAS / MDL: 554-13-2 1313-96-8
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2023 · IF 9.9

K–N Bridge-Mediated charge separation in hollow g-C3N4 Frameworks: A bifunctional photocatalysts towards efficient H2 and H2O2 production

Xiaoli Jin,Huiqing Wang,Xiongtao Lv,Qing Lan,Teng Ge,Lin Guo,Xin Li,Hongxian Sun,Chenghua Ding,Yuwei Guo,Haiquan Xie,Liqun Ye

The development of bifunctional photocatalysts for enhancing hydrogen (H 2 ) and hydrogen peroxide (H 2 O 2 ) production from water is essential in addressing environmental and energy issues. However, the practical implementation of photocatalytic technology is still constrained by the inadequate separation of photo-generated charge carriers. Herein, potassium (K) atoms are introduced into the interlayers of graphitic carbon nitride (g-C 3 N 4 ) with a hollow hexagonal structure (K-TCN) and are coordinated with N atoms in adjacent layers. The presence of K–N coordination serves as a layer bridge, facilitating the separation of charge carriers. The hollow hexagonal structure reduces the distance over which photogenerated electrons migrate to the surface, thereby enhancing the reaction kinetics. Consequently, the optimized K-TCN exhibits a dramatically improved photocatalytic H 2 (941.6 μmol g −1 h −1 with platinum (Pt) as the cocatalyst) and H 2 O 2 (347.6 μmol g −1 h −1 ) generation as compared to hollow g-C 3 N 4 (TCN) and bulk g-C 3 N 4 nanosheet (CN) without K–N bridge under visible light irradiation. The unique design holds promising potential for developing highly efficient bifunctional photocatalysts towards producing renewable fuels and value-added chemicals.

CAS / MDL: 461-58-5
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Solid–Liquid Phase Equilibria of the Quaternary System NaCl–CaCl2–H3BO3–H2O at 323.15 K: Solubility Determination and Thermodynamic Model

Liwei Zhuang,Qinqin Hu,Shujing Wang,Ruyi Lin,Dan Li,Yong Ma,Lingzong Meng,Jiaoyu Peng

The solid–liquid phase equilibria of brine systems containing boric acid are the theoretical basis for the development of boric acid from brine resources. The phase equilibria of the systems NaCl–CaCl2–H3BO3–H2O and CaCl2–H3BO3–H2O at 323.15 K were investigated by the isothermal solution method. The phase diagram for the ternary system is composed of one co-saturation point, two univariant solubility curves, and two singe-salt crystallization fields of CaCl2·2H2O and H3BO3. The dry-salt phase diagram for the quaternary system consists of one invariant point, three univariant solubility curves, and three single-salt crystallization fields for NaCl, CaCl2·2H2O, and H3BO3. In the phase diagrams of the quaternary system at 298.15 and 323.15 K, the areas of sodium chloride and calcium chloride salt regions are enlarged, whereas the area of the H3BO3 region is diminished significantly with the increase of temperature. Using the Pitzer model, the lacking Pitzer parameters for H3BO3 were obtained by fitting the solubilities in the CaCl2–H3BO3–H2O system. The calculated solubilities with the Pitzer model were in accord with the experimental data.

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Inorganic Chemistry Frontiers · 2022 ·Vol. 9 ·期 22 ·5932-5940 · IF 7.779

[ASr4Cl][Ge3S10] (A = Na, K) and [KBa4Cl][Ge3S10]: new salt-inclusion infrared nonlinear optical crystals with zero-dimensional [Ge3S9] clusters

Yufei Song,Shaoxin Cui,Zhen Qian,Hongwei Yu,Zhanggui Hu,Jiyang Wang,Yicheng Wu,Hongping Wu

Three new chalcohalide nonlinear optical crystals, [ASr4Cl][Ge3S10] (A = Na, K) and [KBa4Cl][Ge3S10], have been successfully designed and synthesized by combining the covalent [Ge3S9] clusters and ionic [AB4Cl] frameworks. Their crystal structures were determined by single crystal X-ray diffraction, which showed that all three compounds crystallized in the noncentrosymmetric and polar space group of P63. Three structures are iso-structural and can be seen as salt-inclusion structures with the isolated [Ge3S9] clusters stacked alternately along the c axis and 1∞[ClNaSr(2)3]6+ chains acting as scissors to cut the connection between the [Ge3S9] clusters, which is still rare in the known chalcohalides. The IR and Raman spectra indicate that [ASr4Cl][Ge3S10] (A = Na, K) and [KBa4Cl][Ge3S10] have wide IR transparent windows up to 20 μm. UV-Vis-NIR diffuse reflectance spectra manifest that all three compounds have large band gaps of 3.54, 3.51, and 3.57 eV, respectively. In addition, the title compounds also exhibit large laser damage thresholds (∼12 × AgGaS2) and moderate SHG responses (1.08, 0.91, and 0.82 × AgGaS2, respectively). These properties demonstrate their potential as IR NLO crystals. Furthermore, the influence of the (M + N)/Q ratios (M = IIIA or IVA, N = IB or IIB or cations coordinated as [MxQy] anionic groups; Q = S, Se) on the anionic group structural dimensions was discussed, and the structure–property relationship was also studied based on the first-principles calculations. These may produce some insights for designing new chalcohalides.

CAS / MDL: 7647-14-5
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Solubility Determination and Thermodynamic Modeling of Solid–Liquid Equilibria in the Quaternary System NaCl–Na2SO4–NaHCO3–H2O at 323.15 K

Xiaohui Song,Jinqiu Ma,Lingzong Meng,Tianlong Deng,Yafei Guo,Yong Ma,Dan Li

The solubilities, refractive indices, and pH values in the NaCl–Na2SO4–NaHCO3–H2O system at 323.15 K were determined by the isothermal solubility method. The dry-salt diagram of the system consists of three isothermal solubility curves saturated with two salts, one invariant point, and three crystallization regions of NaCl, Na2SO4, and NaHCO3. Two models were applied to predict the solubilities in the system based on the Pitzer model. Model I assumes that there is only one carbon species HCO3– in the solution. Model II supposes that there are three carbon species corresponding to HCO3–, CO32–, CO2(aq), and OH– in the solution. Both the computed solubilities with the two models were basically consistent with experimental results. The concentrations of HCO3–, CO32–, CO2(aq), and OH– were calculated by model II. The dominant form of carbon species is HCO3–, and the concentrations of CO32– and CO2(aq) in the sodium bicarbonate solution can be neglected. Model II can be used to describe the experimental pH values. The mean activity coefficients of NaCl, Na2SO4, and NaHCO3, osmotic coefficients, and water activities were also calculated with the Pitzer model.

CAS / MDL: 7647-14-5
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2022 · IF 3.269

Liquid-liquid equilibrium for the ternary system of water, 2,2,2-trifluoroethanol and different solvents at 303.2 K under 101.3 kPa

Song Lin,Houchun Yan,Yueyang Jiang,Hongyue Guo,Yicong Zhao,Mai Han,Qingsong Li

The liquid–liquid equilibrium (LLE) data of water, 2,2,2-trifluoroethanol (TFE) and different solvents {1-hexanol, 1-pentanol, 1-octanol and 2-octyl alcohol} were measured at 303.2 K under 101.3 kPa. The distribution coefficient (D) and selectivity factor (S) were calculated, and the results showed that the four extractants had good separation effects. The experimental data were successfully correlated by the two thermodynamic models of NRTL and UNIQUAC. In addition, the binary interaction parameters were obtained. The root mean square deviation (RMSD) of the fitting results were all less than 0.6%. The GUI-MATLAB was used to verify the consistency of the binary interaction parameters calculated by the thermodynamic models.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Measurement and Correlation of Solubility of Methyl 1,2,4-Triazole-3-carboxylate in 14 Pure Solvents from 278.15 to 318.15 K

Yang Li,Kejia Liu,Long Meng,Yong Wang

The solubility of methyl 1,2,4-triazole-3-carboxylate in 14 solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, isobutyl alcohol, acetonitrile, acetone, 2-pentanone, 3-pentanone, 4-methyl-2-pentanone, cyclopentanone, cyclohexanone, tetrahydrofuran) in the range from 278.15 to 318.15 K and at atmospheric pressure was measured in this study. The solubility of methyl 1,2,4-triazole-3-carboxylate in all solvents increases with the increasing temperature. The solubility of methyl 1,2,4-triazole-3-carboxylate in the solvents except for methanol and cyclohexanone does not show much difference, and is significantly smaller than that in methanol and cyclohexanone. The solubility of methyl 1,2,4-triazole-3-carboxylate is not strictly related to polarity of the solvents as it is to the existence of other factors. The solubility of methyl 1,2,4-triazole-3-carboxylate was correlated by the λh equation, modified Apelblat model, and Yaws model. The Yaws model is the best one among the three models with average relative deviation (ARD) and average root-mean-square deviation (104(RMSD)) of 1.18% and 0.364. The work in this study provides important solubility data for purification and synthesis of methyl 1,2,4-triazole-3-carboxylate.

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APPLIED SURFACE SCIENCE · 2022 · IF 7.392

Adjusting the K-doping of La1-xKxMnO3 (0.1 ≤ x ≤ 0.35) films to obtain high TCR and LFMR at room-temperature

Shuaizhao Jin,Xin Gu,Xiaohan Yu,Xiaoli Guan,Yixin Yan,Kaikai Wu,Liming Zhao,Yan Zhu,Shuhong Sun,Jinkun Liu,Jin Hu,Jun Zhao,Lingde Kong,Wenyun Yang,Qingming Chen,Parviz Kameli,Xiang Liu

Compared with conventional thermal and magnetic sensing materials, perovskite manganese oxide films with a rapid shift from ferromagnetic metals to paramagnetic insulators can be more suitable for the fabrication of uncooled infrared bolometers and magnetic sensors. However, the main challenge is to obtain perovskite manganese oxide films with high temperature coefficient of resistivity ( TCR ) and low field magnetoresistance ( LFMR ) at room temperature . In this study, La 1- x K x MnO 3 (LKMO, 0.10 ≤  x  ≤ 0.35) films with different K-dopant amounts were prepared on SrTiO 3 substrates using sol–gel spin coating method. A comprehensive analysis of their structure, morphology, and ionic valence enabled one to conclude that varying K-dopant content from 0.10 to 0.30 caused a decrease in Mn-O bond lengths and an increase in Mn-O-Mn bond angles, as well as caused the grain growth and the rise in Mn 4+ content in LKMO films. All these changes resulted in a significant alteration in the resistivity of LKMO films, thereby providing the larger TCR and LFMR values at room temperature. According to the results, La 0.7 K 0.3 MnO 3 with 13.13 % K −1 TCR and La 0.85 K 0.15 MnO 3 with 46.39% LFMR (under an external magnetic field of 1 T) are promising materials for the manufacturing of uncooled infrared bolometers and magnetic sensors, respectively.

CAS / MDL: 10277-43-7
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International Journal of Minerals Metallurgy and Materials · 2022 ·Vol. 29 ·期 2 ·248-255 · IF 3.85

Activity coefficient of NiO in SiO2-saturated MnO-SiO2 slag and Al2O3-saturated MnO-SiO2-Al2O3 slag at 1623 K

Ren Guoxing,Xiao Songwen,Liao Caibin,Liu Zhihong

As a part of the fundamental study related to the reduction smelting of spent lithium-ion batteries and ocean polymetallic nodules based on MnO-SiO 2 slags, this work investigated the activity coefficient of NiO in SiO 2 -saturated MnO-SiO 2 slag and Al 2 O 3 -saturated MnO-SiO 2 -Al 2 O 3 slag at 1623 K with controlled oxygen partial pressure levels of 10 −7 , 10 −6 , and 10 −5 Pa. Results showed that the solubility of nickel oxide in the slags increased with increasing oxygen partial pressure. The nickel in the MnO-SiO 2 slag and MnO-SiO 2 -Al 2 O 3 slag existed as NiO under experimental conditions. The addition of Al 2 O 3 in the MnO-SiO 2 slag decreased the dissolution of nickel in the slag and increased the activity coefficient of NiO. Furthermore, the activity coefficient of NiO ( γ NiO ), which is solid NiO, in the SiO 2 saturated MnO-SiO 2 slag and Al 2 O 3 saturated MnO-SiO 2 -Al 2 O 3 slag at 1623 K can be respectively calculated as γ NiO = 8.58 w (NiO) + 3.18 and γ NiO = 11.06 w (NiO) + 4.07, respectively, where w (NiO) is the NiO mass fraction in the slag.

CAS / MDL: 598-62-9 7631-86-9
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CHEMICAL ENGINEERING SCIENCE · 2023 · IF 4.7

Enhancing the photocatalytic performance of the g-C3N4/BiOCl heterojunction in gaseous toluene degradation via K+ decoration in g-C3N4

Fan Fu,Jian Yang,Hao Xu,Yang Li,Shaobo Cao,Kang Da,Wenting Chen,Ximei Fan

Doping or constructing heterojunctions by coupling with other semiconductors are effective methods to improve the photocatalytic performance of graphitic carbon nitride (g-C 3 N 4 ) in toluene degradation. Herein, thermally condensed synthesized K-doped g-C 3 N 4 (KCN) is coupled with BiOCl via a hydrothermal method, and KCN/BOC heterostructures are obtained. The optimal KCN 1 /BOC heterojunction exhibits approximately 85% removal of toluene after 150 min irradiation under simulated solar light, which is 12.4 and 9.6 times higher than those of g-C 3 N 4 and BiOCl, respectively. The superior performance of KOH-modified g-C 3 N 4 is attributed to the electron transfer channels formed by the insertion of K + into the g-C 3 N 4 layers, which facilitate efficient charge separation and rapid electron transfer. Furthermore, the KCN/BOC heterostructure with the Z-scheme further improves the surface charge separation efficiency, which plays a critical role in the photocatalytic process. This work provides a facile and promising strategy for dual-strategy modification of g-C 3 N 4 to enhance photocatalytic degradation activity.

CAS / MDL: 1310-58-3
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