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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Phase Equilibria and Phase Diagram of the Quaternary System (Na+, K+, Ca2+//Cl– -H2O) and Its Subsystems at 338.15 K

Ruxue Yao,Yang Ge,Jiangtao Song,Fei Yuan,Yafei Guo,Tianlong Deng

The Qaidam Basin has potassium- and calcium-rich oil field brine resources at high temperatures. Since the phase diagram is a powerful tool to guide the separation and purification of inorganic chemical engineering for the development of potassium resources in oil field brine, the quaternary oil field brine system (Na+, K+, Ca2+//Cl– -H2O) and its two subsystems ((Na+, Ca2+//Cl– -H2O) and (K+, Ca2+, //Cl– -H2O)) at 338.15 K were reported for the first time by the isothermal dissolution equilibrium method. The compositions of the equilibrium solid phases were analyzed and identified by combined chemical analyzing and X-ray diffraction. The quaternary system has four crystallized regions corresponding to NaCl, KCl, KCl·CaCl2, and CaCl2·2H2O at 338.15 K, and the incongruent double salt KCl·CaCl2 occurred at 338.15 K. The study facilitates the enrichment of thermodynamic data and exploits brine-based potassium resources.

CAS / MDL: 7647-14-5 7447-40-7
研究领域: 化学工程 · 无机化学
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JOURNAL OF MEMBRANE SCIENCE · 2024 · IF 8.4

Sub-nm-confined synthesis of nanoaggregates in 2D MXene membranes for on-demand separation of dyes and salts from water

Ting Li,Siyuan Liu,Jianyong Yu,Leiming Guo,Faxue Li

Advanced 2D MXene membranes endowed with size-adjustable transport pathways are greatly desired for tailored separation scenarios. How to construct such membranes in a facile way remains challenging. Herein, we develop an innovative strategy to prepare the MXene-based membranes with stable and highly tunable transport pathways for multiple separation scenarios through sub-nm-confined synthesis. By simply soaking the pristine MXene membranes in the mixed solution of tannic acid (TA) and 3-aminopropyltriethoxysilane (APTES), the chemical reaction of TA and APTES occurred in the sub-nm-scaled interlayer channels of the MXene membranes, inducing the generation of TA-APTES nanoaggregates. The interlayer spacings of the membranes can be continuously regulated in the range of 13.9–17.1 Å, while the water permeances are designated as between 10.5 and 317 L/(m 2  h bar). Moreover, the membranes are capable of effectively rejecting 89.9 % of NaCl or 98.2 % of MgSO 4 or 100 % of dyes on demand. The developed strategy of sub-nm-confined synthesis makes the constructed membranes much more stable than previously reported ones and suitable to the high-efficient separation of dye/salt mixtures. The intercalated membranes outperform most of other nanofiltration membranes in separating either NaCl or MgSO 4 or dye/salt mixtures. This work paves a new and facile way to construct advanced 2D membranes with desired transport pathways for multiple separation scenarios.

研究领域: 材料科学 · 环境科学
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JOURNAL OF THE AMERICAN CERAMIC SOCIETY · 2016 ·Vol. 100 ·期 1 ·333-342 · IF 2.787

A Visible Light Photocatalyst of Carbonate-Like Species Doped TiO2

Linhui Yu,Yangming Lin,Jing Huang,Sen Lin,Danzhen Li

Carbon-doped TiO 2 nanomaterials have been successfully synthesized via an effective two-step procedure involving hydrothermal method and followed by a low-temperature calcination treatment process, through which a controllable amount of carbonate-like species could be incorporated into TiO 2 . First-principles calculations suggest the TiO 2 doped with carbon in form of carbonate-like species can effectively extend the adsorption of the material from ultraviolet region to visible light. And it is experimentally found that carbon-doped TiO 2 nanomaterials exhibit much higher photocatalytic activity than reference P25 and TiO 2− x N x catalysts toward the liquid-phase degradation of organic pollutants under visible light (420 nm < λ < 800 nm) irradiation. The presence of synergic effect between carbonate-like doping and anatase TiO 2 is believed to play an essential role in affecting the photocatalytic reactivity, and the response to the visible light is ascribed to the narrowed band gap energy controlled by carbon doping. Moreover, the roles of active species in the photocatalytic process are compared using different types of active species scavengers. Meanwhile, the degradation mechanism of the photocatalysis is proposed. It is hoped that our work could provide valuable information on the design of carbonate-like doped semiconductor with more excellent properties and set the foundation for the further industrial application.

CAS / MDL: 546-68-9
研究领域: 材料科学 · 环境科学
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FOOD CHEMISTRY · 2018 · IF 4.946

The prooxidant activity of salts on the lipid oxidation of lecithin-stabilized oil-in-water emulsions

Leqi Cui,Jing Fan,Yifei Sun,Zhenbao Zhu,Jianhua Yi

Salts reduction/substitution have gained a lot interest from food industry since the US Food and Drug Administration (FDA) has issued a draft guidance for salt reduction. However how changes of salts in food formulation could influence lipid oxidation is still not fully understood. Using oil-in-water emulsions stabilized by a natural emulsifier – lecithin at pH 7.0 as a model system, this study evaluated how salts affect the physical parameters of the emulsion, the chelating activity of lecithin and thus the lipid oxidation of these emulsions. Results showed that salts increased the particle size, the negative charge of the oil droplets, and the amount of iron chelated by lecithin. Lipid oxidation lag phases were shortened by addition of salts, by 1 day and 2 days for lipid hydroperoxides and thiobarbituric acid reactive substances measurements respectively. These results provide some new insights on the mechanisms of how salts could affect the lipid oxidation of food emulsions.

研究领域: 食品科学 · 生物化学
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FUEL · 2021 · IF 6.609

Inhibition discrimination of different chloride salts on coal functional groups

Chunhua Zhang,Jiahui Shen,Ji Li,Mei Wan

To study the inhibition characteristics of different chloride salts on the spontaneous combustion of coal and to further reveal why magnesium chloride shows a different inhibitory effect, coal samples from FuSheng Coal Mine No. 15 in Shanxi Province were selected. Based on the characteristics of functional group absorption peak at different temperature, the composition changes and reactivity ranking of the functional groups in oxidized coal samples were tested by thermal oxidation experiments and infrared spectroscopy and analyzed to obtain the chain thermal reactions of different active groups. The weight-loss process and heat release characteristics of raw coal and three chloride salt-containing coal samples (sodium chloride, potassium chloride, and magnesium chloride) were compared and analyzed by synchronous thermal analysis experiments, and their inhibition reaction mechanism were studied. The results showed that different functional groups reacted at different low-temperature stages, and the active groups containing C–H, O–H, C-O, and C = O bonds were important during the spontaneous combustion of coal. In the chain thermal reactions with different active groups, heat and oxidative cleavage of the C-O and O–H bonds determined the chain development of different functional groups, and the R·, RO·, H·, and ·OH, chain thermal reaction products again acted as reactants that promoted further development of the reaction. Sodium chloride and potassium chloride played inhibitory roles in the dehydration-desorption stage and dynamic equilibrium stage through water evaporation and heat absorption, while magnesium chloride participated in the whole coal-oxygen reaction process. The inhibitory mechanism included dehydration and heat absorption by MgCl 2 ·6H 2 O, the complex dehydration of active groups containing O–H, the precipitation and oxygen insulation of [(SH·) n ]Mg and Mg(OH) 2 , the nucleophilic substitution of α-H for RCH 3 and RCH 2 OH groups, and the formation of H…Cl…H bonds.

CAS / MDL: 7786-30-3
研究领域: 化学工程 · 能源科学 · 材料科学
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Heliyon · 2024 · IF 3.4

Facile synthesis of copper carbonate analog with peroxidase-like activity for colorimetric detection of isoniazid

Yan Dai,Hao Zhang

In this article, copper carbonate analog with good peroxidase-like activity was successfully synthesized for the first time via a simple co-precipitation of CuSO 4 ▪5H 2 O and Na 2 CO 3 . The obtained copper carbonate analog exhibited excellent intrinsic peroxidase-like activity towards a classical peroxidase substrate of 3, 3′, 5, 5′ -tetramethylbenzidine (TMB) in the presence of hydrogen peroxide (H 2 O 2 ) under an acidic environment. The study of the catalytic mechanism confirmed that the hydroxyl radical produced from the decomposition of H 2 O 2 is the main reactive oxygen species responsible for the catalytic oxidation of TMB to oxTMB. Moreover, results from kinetic parameter analysis indicated that H 2 O 2 was more easily and/or likely to attach to the copper carbonate analog than TMB. Subsequently, the effects of experimental conditions (buffer pH, temperature, and incubation time) on the catalytic activity of the copper carbonate analog were also optimized. Finally, a copper carbonate analog-based colorimetric sensor was developed to determine isoniazid. Under the optimal conditions, the linear range for isoniazid was as broad as 0–178.6 μM, and the detection limit was as low as 8.47 μM. The spiked recoveries of isoniazid in normal human serum has been observed in the range of 94.8%–105.5 %. This strategy focuses on the development of a green, cost-efficient peroxidase mimic with high activity, good biocompatibility, and a simple synthesis process.

CAS / MDL: 56-86-0
研究领域: 生物化学 · 医学诊断
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JOURNAL OF MEMBRANE SCIENCE · 2018 · IF 6.578

Novel “loose” GO/MoS2 composites membranes with enhanced permeability for effective salts and dyes rejection at low pressure

Peng Zhang,Ji-Lai Gong,Guang-Ming Zeng,Biao Song,WeiCheng Cao,Hong-Yu Liu,Shuang-Yan Huan,Ping Peng

Graphene oxide-based nanofiltration membrane, have attracted tremendous interest due to the highly permeability and excellent rejection behavior. Here we show that a novel low-pressure nanofiltration membranes (LPMs) comprising MoS 2 nano-supporting spacer among the graphene oxide (GO) layers, which were fabricated by forward pressure-assisted assembly and heat-treatment. The resultant GO/MoS 2 LPMs exhibited a pure water permeability about 10.2 ± 1.68 L/(m 2 ·h·bar) at low pressure (2 bar), which was much higher ( about 13.6 times) than that of pristine GO membrane (~0.75 L/(m 2 h bar)). Meanwhile, high rejection to different charged dyes ( ≥ 95%) and moderate rejection for salts (43.2%, 65.2%, 26.5% and 24.3% for NaCl, Na 2 SO 4 , MgCl 2 and MgSO 4 , respectively) was remained. The satisfied filtration performance was attributed to the loose interlayer-structure of composite membrane and the cooperative effect of Gibbs-Donnan exclusion mechanism and steric hindrance. In addition, the GO/MoS 2 LPMs presented satisfied stability and antifouling properties. Experimental results and molecular dynamics simulation results demonstrated that the increase of vertical distance between GO sheets by introducing the MoS 2 nanoparticles could accelerate the water transport in the channels. This paper was not only provided a new design idea for adjusting the channel size of GO membrane, but also gave a promise of GO-based membrane for practical wastewater treatment and purification.

CAS / MDL: 1317-33-5
研究领域: 材料科学 · 环境工程 · 纳米技术
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CONSTRUCTION AND BUILDING MATERIALS · 2021 · IF 6.141

Ice pressure and icing volume expansion rate of acetate-based deicers under freezing conditions

Haoxia Ma,Hongfa Yu,Yongshan Tan,Bo Da

Acetate-based deicers are frequently used as airport pavement de-icing fluids in cold regions. In this study, the ice pressure ( I p ), icing volume expansion rate ( Δ V P ), freezing point ( T 0 ), and undercooling degree of acetate-based deicers were investigated. The above mentioned indices were also compared with that of water and NaCl deicers. The results showed that the cooling process and ice crystal growing process of acetate-based deicers could be divided into five stages. Additionally, the stabilised values of I p and Δ V P decreased with the deicer concentration increases. Furthermore, the impulse concept of ice pressure ( IPI ) was proposed to evaluate the frost damage of concrete caused by deicers. The I p , Δ V P , and T 0 values of calcium magnesium acetate (CMA) deicer with different Ca/Mg mole ratios (i.e. 1/1, 0.91, 7/3, and 3/7) were tested in the ice pressure test. The value of CMA deicer with 3/7 Ca/Mg mole ratio was the lowest. However, the I p values of CMA deicers with 0.91 Ca/Mg and 1/1 Ca/Mg mole ratios were the highest. Among all the tested acetate-based deicers, CMA deicers had the lowest values of I p , Δ V P , and IPI . Moreover, the CMA deicer with 3Ca/7Mg mole ratio was recommended for deicing airport pavements to reduce the concrete frost deterioration caused by acetate-based deicers. In this study, we investigated the physical properties of acetate-based deicers, quantitatively analysed the destructive power of deicers in a freeze–thaw test, and studied the cause of freeze–thaw deterioration of concrete. Overall, this study provides a theoretical method for exploring new deicers.

研究领域: 材料科学 · 环境工程
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Solving the problem of the 'third phase' in the extraction process by regulating the formation of micelles

Ting Li,Shishun Dong,Qifeng Wei,Xiulian Ren

Based on the theory of critical micelle , a Gemini type amide based ionic liquid system was developed to effectively extract Zr(IV) and Hf(IV) dispersed in an acidic chloride solution from the liquid phase into the organic phase through a coordination driven process. We focused on the effect of the reverse micelles formed during the extraction process of the extracted compound on the stability of the coordination system. The 'third phase' problem in the organic phase during the extraction process was analyzed from the perspective of molecular polarity. Thus, the strategy of Gemini amide ionic liquid applied to the extraction of metal ions in an acidic chloride system was improved.

CAS / MDL: 7647-01-0
研究领域: 化学 · 环境科学
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JOURNAL OF MATERIALS SCIENCE · 2016 ·Vol. 51 ·期 24 ·10849-10862 · IF 2.302

Promising hydrazinium 3-Nitro-1,2,4-triazol-5-one and its analogs

Zhang Man,Li Chuan,Gao Huiqi,Fu Wei,Li Yingying,Tang Liwei,Zhou Zhiming

Twelve salts of 3-nitro-1,2,4-triazol-5-one (NTO) (ammonium, hydrazinium, guanidinium, aminoguanidinium, diaminoguanidinium, triaminoguanidinium, N -carbamoylguanidinium, semicarbazidium, 1,5-diamino-1,2,4-tetrazolium, 3,4,5- triamino-1,2,4-triazolium, 3,6,7-triamino-7H-[1, 2, 4]triazolo[5,1-c][1,2,4]triazol-2- ium, and 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium) were synthesized. The new salts were fully characterized by 1 H and 13 C NMR spectroscopy, infrared spectroscopy, and elemental analysis. The crystal structures of salts 10 and 11 were determined by single-crystal X-ray diffraction. All energetic salts except salt 6 exhibit excellent thermal stabilities with decomposition temperatures ranging from 203 to 270 °C. The densities of salts ranged from 1.65 to 1.88 g cm −1 as measured by a gas pycnometer. Theoretical performance calculations (Gaussian 03 and EXPLO5 v6.01) yielded detonation pressures and detonation velocities for the energetic salts, ranging from 24.4 to 38.1 GPa and 8136 to 9575 m s −1 , respectively. In particular, salt 2 has an outstanding detonation performance ( P cj  = 38.1 GPa, v D  = 9575 m s −1 ) with a satisfactory acidity compared to that of NTO ( pK a  = 5.63 versus pK a  = 2.37). Furthermore, the particles of salt 2 form two-dimensional blades of submicron size, as determined by scanning electron microscopy analysis. Meanwhile, salt 2 was compatible with TNAZ, TATB, TKX-50, Al, NH 4 ClO 4 , CL-20, TNT, and F2603 fluororubber, as determined by differential scanning calorimetry or vacuum stability tests.

研究领域: 化学 · 材料科学 · 爆炸物研究
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JOURNAL OF MOLECULAR STRUCTURE · 2025 · IF 4.7

Effects of conformation of excipients succinic acid and maleic acid in molecular salts on in vitro/in vivo properties of marine drug cytarabine

Yue-Ming Yu,Xue-Jie Li,Zhi-Long Zhao,Qiu-Tong Chen,Fan-Zhi Bu,Zhi-Yong Wu,Yan-Tuan Li

A salification-actuated cocrystalline strategy has been proposed to allow full play to structural and property advantages of pharmaceutical excipients succinic acid (H 2 SA) and maleic acid (H 2 MA) in perfecting in vitro/vivo properties of marine antitumor drug cytarabine (ARC). Utilizing the acidity of H 2 SA/H 2 MA, and the alkalinity of ARC can generate strong charge-assisted complementary hydrogen-bond by proton transfer reaction, for one thing, it is conducive to protecting the amino active site of ARC and reducing its inactivation, eventually heightening the bioavailability. For another, the properties of ARC are raised by playing the superiorities of these excipients, thus increasing its therapeutic effect. Along this line, two new pharmaceutical molecular salts are achieved structurally characterized. The structure data display that both compounds are cytarabine monocarboxylate salt, namely HARC + -HAS – ( 1 ) and HARC + -HMA – ( 2 ), featuring with the charge-assisted hydrogen bonds. Thereinto, 1 has an open three-dimensional hydrogen-bonding skeleton, while 2 is closed into independent one-dimensional belts, which can ascribe to the configurations of these excipients. The structural features can regulate the poor permeability of ARC supported by theoretical and experimental data. While the meliorative properties have further promoted stronger antitumor activity and optimal pharmacokinetic behavior, with 2 showcasing greater superiority than that of 1 . These results offer new crystalline forms for ARC, also open an innovative avenue to the application of aliphatic diacid pharmaceutical excipients in the realm of marine antitumor drugs.

研究领域: 药学 · 海洋药物学 · 分子生物学
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CHEMOSPHERE · 2023 · IF 8.8

Raman spectra characterization of size-dependent aggregation and dispersion of polystyrene particles in aquatic environments

Hongying Gao,Chuan Liu,Heng Wang,Heqing Shen

Aqueous environments are generally thought to be a source of pooling and re-distribution for both micro-plastics (MPs) and nano-plastics (NPs); however, significantly less data on NPs than MPs have been reported. The occurrence of salts, proteins, and other organic matter may promote or inhibit the aggregation of NPs to form agglomeration particles, making their detection more difficult. In this study, 80 and 500 nm polystyrene nano-plastics ( P S-NPs) modified by four different functional groups ( P S-Bare, P S-COOH, P S-NH 2 , and P S–CHO–500 nm) were selected to mimic the flocculation and/or sedimentation of NPs in salts (NaCl, CaCl 2 , and Na 2 SO 4 ) and protein solutions. The results showed that the 80 nm P S-NPs are only colloidal in pure water. All four strong electrolyte solutions that were tested significantly promoted the aggregation of P S-NPs, including those that were protein-coated. In addition, 500 nm P S-CHO did not flocculate but gradually settled into sedimentation. Therefore, Raman spectrometry can be used to analyze assembled P S-NPs, but is not suitable for analyzing normal P S-NPs. By combining fractal morphology, this study provides insight into the comprehensive analysis of P S-NPs in water solutions, including the digestion of biological samples.

研究领域: 环境科学 · 纳米技术 · 分析化学
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