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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2015 · IF 2.037

Solubility Measurement and Correlation for 2-Naphthaldehyde in Pure Organic Solvents and Methanol + Ethanol Mixtures

Fang Zhang,Yaocun Tang,Long Wang,Li Xu,Guoji Liu

The solubility behavior of 2-naphthaldehyde in six pure solvents (methanol, ethanol, isopropanol, n-butyl alcohol, n-heptane, and n-hexane) and binary solvent mixtures of methanol + ethanol with various concentrations were experimentally studied by the equilibrium method at temperatures ranging from (283.15 to 313.15) K and (283.15 to 308.15) K, respectively, under an atmosphere pressure of 0.1 MPa. The solubilities of 2-naphthaldehyde in the pure solvents accord with the following order: ethanol > isopropanol > n-butyl alcohol > methanol > n-heptane > n-hexane. In the mixed solvents, the solubility of 2-naphthaldehyde increases with decreasing mass fraction of methanol. All of the solubility data were correlated with the van’t Hoff equation, the modified Apelblat equation, and the λh equation. The correlation results with the modified Apelblat equation showed better agreement with the experimental values than those with the other two models. Furthermore, the thermodynamic properties of the dissolution process of 2-naphthaldehyde were also calculated and discussed.

CAS / MDL: 66-99-9
研究领域: 化学 · 物理化学
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

Solid-liquid equilibrium for the ternary 2-naphthaldehyde + 2-methyl-1,4-naphthoquinone + ethanol system: Determination, correlation and molecular simulation

Yi Yu,Xiaoqiang Gao,Zhouxuan Zang,Li Xu,Guoji Liu

In this work, the solubility of 2-methyl-1,4-naphthoquinone (2-MNQ, Vitamin K3) and its by-product 2-naphthaldehyde in binary and ternary systems was studied. Three phase diagrams were established based on the experimental solubility data. Each ternary phase diagram contains three crystallization regions (pure 2-MNQ, pure 2-naphthaldehyde and mixture of 2-MNQ and 2-naphthaldehyde), two co-saturated curves and one co-saturated point. The crystalline region of 2-MNQ is larger than that of 2-naphthaldehyde at three temperatures (283.15, 293.15 and 303.15) K. The solubility of the binary (2-MNQ + ethanol and 2-naphthaldehyde + ethanol) system was correlated by λh equation, modified Apelblat equation and NRTL model. The ternary (2-MNQ + 2-naphthaldehyde + ethanol) system was correlated by NRTL model. The calculated values agree well with the determined solubility data. Interaction energy between solute and solvent molecules were calculated to illustrate the solubility behavior of 2-MNQ and 2-naphthaldehyde in ethanol. RDF shows that when adding pure 2-naphthaldehyde in solution of 2-MNQ + ethanol, the interaction between 2-MNQ and ethanol molecules will become stronger, which leads to an increase in solubility of 2-methyl-1,4-naphthoquinone. This study can provide basic data and theoretical foundation for the separation process.

CAS / MDL: 58-27-5 66-99-9
研究领域: 化学工程 · 分子生物学 · 药物化学
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CATALYSIS COMMUNICATIONS · 2018 · IF 3.463

Effect of Mo loading on 2-naphthaldehyde formation from vapor phase oxidation of 2-methylnaphthalene with V2O5/TiO2 catalysts

Xiaoqiang Gao,Fang Zhang,Yi Yu,Yonghui Dou,Li Xu,Guoji Liu

Mo-modified V 2 O 5 /TiO 2 catalysts were prepared by wetness impregnation method and investigated for the selective oxidation of 2-methylnaphthalene to 2-naphthaldehyde. The catalysts were characterized by XRD, BET, XPS, and Raman to investigate the promotional effect of Mo on catalyst structure, surface property, and catalytic performance. The introduction of molybdenum decreases the amount of KVO 3 phase and enhances the dispersion of the vanadium phase. XPS and Raman results indicate that Mo prevents Sn and K to interact with V species and bonds with Ti or V through bridge oxygen. V1Mo1 sample demonstrates a remarkable improvement in conversion and selectivity compared with others.

研究领域: 催化化学 · 材料科学
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2021 · IF 3.764

High-Performance Metal Oxide-Modified V/TiO2 Catalysts for Selective Oxidation of 2-Methylnaphthalene to 2-Naphthaldehyde: An Experimental and Theoretical Study

Yi Yu,Fanfan Li,Xinghao Han,Shanghai Long,Shishuai Shi,Li Xu,Guoji Liu

2-Naphthaldehyde is industrially produced from 2-naphthalene nitrile and 2-naphthoyl chloride in acid. Greener gas-solid catalytic oxidation of 2-methylnaphthalene to 2-naphthaldehyde has rarely been investigated. In this study, the preparation of 2-naphthaldehyde over V/TiO2 catalysts doped with 13 metal promoters was explored and the V-Cu(1)/TiO2 catalyst showed excellent performance with 63.37% 2-methylnaphthalene conversion and 70.09% 2-naphthaldehyde selectivity at 400 °C, gas hourly space velocity (GHSV) of 10 000 h–1, and feed flow rate of 3.87 × 10–4 mol·h–1, giving the highest turnover frequency (TOF) value of 17.05 × 10–6 s–1. We have consequently studied the effect of Cu doping on the physicochemical properties of the V/TiO2 catalyst and found that structural changes are not the main reason to improve the catalytic performance. Increased vacancies and oxygen mobility accelerate the formation of nucleophilic oxygen from electrophilic oxygen, which are the key factors to improve 2-NA selectivity. The synergy between V, Cu, and O through the V–O–Cu bridging bond also improves the weak acid ratio, redox ability, and the reactivity of active sites (bridging and terminal oxygen). X-ray photoelectron spectroscopy (XPS), in situ diffuse-reflectance infrared Fourier transform (DRIFT) spectroscopy, and density-functional theory (DFT) calculations have proved that this reaction obeys the Mars–van Krevelen mechanism and involves a reduction process of V5+ and Cu2+ during oxidation.

研究领域: 催化化学 · 理论化学 · 环境科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Solid–Liquid Phase Equilibria of the Ternary System (2-Naphthaldehyde + 4-Methylphthalic Anhydride + Ethyl Acetate) at (288.15, 298.15, and 308.15) K

Xiaoqiang Gao,Fang Zhang,Yi Yu,Yonghui Dou,Li Xu,Guoji Liu

The solubility of 2-naphthaldehyde (2-NA) and 4-methylphthalic anhydride (4-MA) in ethyl acetate at temperatures from 283.15 to 313.15 K and solid–liquid equilibrium of ternary (2-NA + 4-MA + ethyl acetate) system at temperatures of (288.15, 298.15, and 308.15) K were measured under pressure of 101.3 kPa. Three isothermal phase diagrams were plotted according to the ternary solubility data. For the ternary system, two pure 2-NA and 4-MA solids were formed at each temperature and determined by the wet residue method of Schreinemaker. The crystalline region of 2-NA decreases with the increase in temperature, and 4-MA is just the opposite. The crystallization region of 2-NA was found to be smaller than that of 4-MA. The solubility data of the system were correlated and calculated by NRTL and Wilson models. The results show that the NRTL model agrees well with the experimental data compared with the Wilson model. Furthermore, the densities of equilibrium solutions were determined at the corresponding temperatures.

CAS / MDL: 7631-99-4
研究领域: 化学工程 · 物理化学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2016 · IF 2.196

Solid-liquid equilibrium and phase diagram for the ternary (2-naphthaldehyde + o-phthalic anhydride + 1,4-dioxane) system

Yi Yu,Fang Zhang,Xiaoqiang Gao,Li Xu,Guoji Liu

In this research, solid-liquid equilibrium for the ternary system (2-naphthaldehyde   +   o -phthalic anhydride   +   1,4-dioxane) was measured at 283.15   K, 293.15   K and 303.15   K, respectively. Three isothermal phase diagrams of the system were plotted using the values of the experimental solubility. Pure 2-naphthaldehyde and o -phthalic anhydride were formed at (283.15, 293.15 and 303.15)   K, and were determined by Schreinemaker’s wet residue method. The crystallization region of o -phthalic anhydride was found to be much larger than that of 2-naphthaldehyde at a certain temperature. The experimental solubility at multiple temperatures was correlated by the NRTL and Wilson models. The NRTL model was more accurate than the Wilson model in this system. The diagram of density versus component was also constructed.

研究领域: 化学 · 物理化学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2025 · IF 4.6

Imidazole derivative-based fluorescent arrays combined with multi-way pattern recognition for Poria cocos origin identification

Xia Hua,Chunling Yin,Leqian Hu,Liuchuang Zhao,Zhimin Liu,Peng Li

s Selective probes exclusively interact with a single metal ion species. In contrast, weakly selective probes can simultaneously coordinate with multiple metal ions, generating distinct fluorescence spectral signatures. This unique attribute enables them to provide more abundant chemical information. In this study, two weakly selective fluorescent probes of imidazole derivatives were designed and synthesized. We investigated the viability of utilizing a fluorescent array to trace the origin of Poria cocos based on the variations in fluorescence intensity and position of the distinctive fluorescence peaks created by their interaction with various metal ions. Subsequently, we collected three-dimensional fluorescence spectra of the interactions between the fluorescent array sensors and Poria cocos extracts from different geographical origins. These array data were analyzed using multi-way pattern recognition methods. The U-PLS-DA model exhibited excellent performance, with a prediction accuracy of 97.56 % that exceeded that of the N-PLS-DA model. This study demonstrates that the weakly selective probe array approach integrated with chemometric analysis provides a novel strategy for the traceability of non-fluorescent foods and traditional Chinese medicines.

研究领域: 分析化学 · 药物分析 · 中药学 · 化学计量学 · 荧光探针技术
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CARBON · 2024 · IF 10.5

Impressive nonlinear optical response of π-conjugated, photoluminescent soft nanoparticles in polymer matrix

Dandan Lu,Jie Zhang,Mingzhi Deng,Xiaoqian Liu,Ziyao Liu,Keyang Yin,Hongguang Li

Nonlinear optical (NLO) materials are useful for applications varying from modulation of optical signals to cancer therapy. Besides inorganic crystals and organic molecules with defined structures, carbonized products have emerged as a new generation of materials showing good NLO properties. Due to the small sizes, the NLO performance of such materials mainly originates from nonlinear absorption. Obtaining a product with a high content of π-conjugated moiety is the key to improving the NLO performance. By using aldehydes bearing π units as the precursors, in this work we synthesized three polymeric nanoparticles (PNPs) through one-step pyrolysis, which also have large contents of π-conjugated structures. It was found that a larger size of π unit in the precursor led to a higher content as well as the size of the π-conjugated structure, which induced a bathochromic shift in the emission and an improved performance in the NLO response. When embedded in polymethylmethacrylate films, the products showed reverse saturable absorption (RSA) behavior with β up to 4.20 × 10 −6  m W −1 and optical limit threshold down to 0.0012 J cm −2 , which are comparable to those of metal-doped counterparts. This work gives deep insight on the structure-property relationship of the pyrolyzed products from π-conjugated small molecules, which is also useful for the preparation of task-specific carbon dots (CDs) or PNPs in future.

研究领域: 材料科学 · 光学 · 纳米技术 · 高分子科学
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JOURNAL OF HAZARDOUS MATERIALS · 2024 · IF 12.2

Hybrid plasmonic aerogel with tunable hierarchical pores for size-selective multiplexed detection of VOCs with ultrahigh sensitivity

Xin Liu,Tiehu Li,Yuhui Liu,Yiting Sun,Yanying Han,Tung Chun Lee,Amir Zada,Zeqi Yuan,Fei Ye,Jiahe Chen,Alei Dang

Sensitive and rapid identification of volatile organic compounds (VOCs) at ppm level with complex composition is vital in various fields ranging from respiratory diagnosis to environmental safety. Herein, we demonstrate a SERS gas sensor with size-selective and multiplexed identification capabilities for VOCs by executing the pre-enrichment strategy. In particular, the macro-mesoporous structure of graphene aerogel and micropores of metal-organic frameworks (MOFs) significantly improved the enrichment capacity (1.68 mmol/g for toluene) of various VOCs near the plasmonic hotspots. On the other hand, molecular MOFs-based filters with different pore sizes could be realized by adjusting the ligands to exclude undesired interfering molecules in various detection environments. Combining these merits, graphene/AuNPs@ZIF-8 aerogel gas sensor exhibited outstanding label-free sensitivity (up to 0.1 ppm toluene) and high stability (RSD=14.8%, after 45 days storage at room temperature for 10 cycles) and allowed simultaneous identification of multiple VOCs in a single SERS measurement with high accuracy (error < 7.2%). We visualize that this work will tackle the dilemma between sensitivity and detection efficiency of gas sensors and will inspire the design of next-generation SERS technology for selective and multiplexed detection of VOCs.

CAS / MDL: 100-51-6 66-99-9
研究领域: 材料科学 · 分析化学 · 环境科学 · 生物医学工程
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PROGRESS IN ORGANIC COATINGS · 2020 · IF 4.469

Naphthyl-based acylphosphine oxide photoinitiators with high effiency and low migration

Yaoyao Liu,Tingting Wang,Chuanbao Xie,Xiujuan Tian,Liang Song,Lei Liu,Zhongwei Wang,Qing Yu

A series of new naphthyl-based acylphosphine oxides (N1–N3) have been designed and synthesized. The obtained compounds could be used in the photo-initiated free radical polymerization (FRP). The performances of N1–N3 in the FRP of trimethylolpropane triacrylate (TMPTA) and their UV–vis spectra were evaluated and compared with 2,4,6-trimethyl(phenyl)diphenyl oxide (TPO, a commercial photoinitiator). Results showed that N1–N3 possessed higher molar absorption coefficients and wider absorption wavelength than TPO. Under the same reaction conditions, N3 exhibited the best double bond conversion (DC) of TMPTA in the tested photoinitiators. Moreover, the calculated migration of N1–N3 of the solidified samples was 1/7, 1/3 and 1/23 of TPO, indicating the lower migration properties. Possible reasons of the performance of N1∼N3 were proposed.

研究领域: 材料科学 · 化学工程
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SEPARATION AND PURIFICATION TECHNOLOGY · 2023 · IF 8.6

Bis-terpyridine imprinted nanocage in the confined two-dimensional lamellar membrane for selective adsorption of Nd(III)

Maowa Zhang,Haiqing Hao,Chenxi Shi,Chongchong Chen,Guoli Zhou,Jingtao Wang,Yijun Cao,Xiangke Han

Nd is a strategic metal, but its extraction and separation process remains a challenging task. Here, ion-imprinted membranes with six-coordinated and semi-rigid imprinted nanocage structure were developed by self-assembling terpyridine monomers in the confined reduced graphene oxide (rGO) nanochannels. The obtained membranes displayed excellent Nd(III) adsorption capacity of 20.6 mg g −1 in the solution including seven rare earth elements (REEs), together with a 7.68 times higher selectivity to Y(III). Experimental measurements and theoretical calculations revealed that Nd(III) was well coordinated to the six pyridine-nitrogen in the nanocage, which showed shorter average coordination bond (0.77 Å) and stronger binding energy (-10.52 eV) than other REEs. These were mainly attributed to the rigid symmetrical crab-type architecture and specific cavity size of bis-terpyridine nanocage. Meanwhile, the limited decomposition of these metastable nanocage derived from 2D confined effect and nanochannel walls with few groups reduced the interference of groups at non-imprinted sites on selective adsorption. The excellent anti-swelling property of rGO framework endowed 7 static adsorption cycles and maintained high selectivity (K' (Nd/Y)  > 7). Integrated into account the well-defined semi-rigid sites constituted by non-covalent interactions, this strategy provided a new idea for facile synthesis of imprinted sites with higher selectivity.

研究领域: 材料科学 · 环境化学
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