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PHYSICS AND CHEMISTRY OF LIQUIDS · 2019 · IF 1.526

Densities and viscosities for the ternary system of cyclopropanemethanol (1) + 2, 2, 4-trimethylpentane (2) + decalin (3) and corresponding binaries at T = 293.15–323.15 K

Mengsha Cai,Zhaoshan Liu,Haiyun Sun,Yongsheng Guo,Wenjun Fang

Densities (ρ) and viscosities (η) of a ternary system cyclopropanemethanol (1) + 2,2,4-trimethylpentane (2) + decalin (3) and three corresponding binary systems were measured at temperatures from 293.15 K to 323.15 K and atmospheric pressure. Densities were obtained by using a vibrating-tube densimeter. Viscosities were determined by an automatic microviscometer based on the rolling ball principle. The excess molar volumes (VmE) and viscosity deviations (Δη) of the ternary system were derived from the experimental data and then were fitted to Clibuka, Nagata–Tamura and Redlich–Kister equation, respectively. The binary subsystems were correlated by Redlich–Kister equation. The values of VmE and Δη were used to discuss the nature of mixing behaviours between mixture components.

研究领域: 物理化学 · 热力学
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GREEN CHEMISTRY · 2023 ·Vol. 25 ·期 11 ·4565-4576 · IF 9.8

Conversion of biomass-derived sugars to 1,1,2-trialkoxyethane via a [2 + 4] retro-aldol reaction over alkaline and alkaline earth metal salts of phosphotungstic acid

Tihang Liu,Jiangang Wang,Hongyou Cui,Jinghua Wang

1,1,2-Trialkoxyethanes (TriAE) are a class of value-added chemicals that are desirably derived from biomass-derived sugars. However, it has been a big challenge to efficiently and selectively break the C–C bond in hexose to synthesize TriAE. In this study, a series of metal salts of phosphotungstic acid (HPW) were prepared to catalyze several biomass-derived sugars. The effects of the atomic ratio of Cs/H in CsxH3−xPW12O40 (x = 1–3), the reaction temperature, and the reaction time were highlighted. The influences of different biomass-derived sugars (glucose, fructose, mannose, cellulose disaccharide, and cellulose) and different alcohols (methanol, ethanol, 1-propyl alcohol, 2-propyl alcohol, and 1-butanol) were also investigated. It was found that alkali and alkaline earth metal monohydrogen salts of HPW were effective catalysts and the stronger the alkalinity of the metal elements, the higher the catalytic activity. Cs2HPW showed the best activity in catalyzing the conversion of glucose to TriAE via [2 + 4] retro-aldol condensation and as high as 88.44% yield of 1,1,2-trimethoxyethane and 72.56% yield of 1,1,2-triethoxyethane were achieved when reacting in methanol and ethanol, respectively. The catalyst deactivation was due to the coking coverage over the active sites rather than the leaching loss of the active components. This research provides new insights into the selective cleavage of the C2–C4 bonds in hexose and a novel approach to biomass-derived sugar valorization.

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JOURNAL OF CHROMATOGRAPHIC SCIENCE · 2022 ·Vol. 61 ·期 2 ·195-202 · IF 1.555

Synthesis of Molecularly Imprinted Polymers Based on a New Monomer “2-(4-Vinylphenyl) Quinoline-4-Carboxylic Acid” for the Selective Solid-Phase Extraction of Lamotrigine

Yin Deng-Yang,Lyu Nan,Qian Zeng-Ting,Zhao Lin-Lin,Wang Liang,Tang Dao-Quan,Du Yan

A new molecularly imprinted polymers (MIPs) have been prepared for the high selective extraction of lamotrigine (LTG), a widely used antiepileptic drug, in human serum. The MIPs were polymerized by bulk polymerization using our synthesized compound, 2-(4-vinylphenyl) quinolin-4-carboxylic acid, as functional monomer, which achieved better adsorption specificity than universal MIPs. Then, the molecularly imprinted solid phase extraction (MISPE) based on this material was coupled with high-performance liquid chromatography (HPLC) for the detection of LTG in human serum. The results of method validation showed that the developed method presented a good precision and accuracy, and the linearity was in the range of 1.50–40.00 mg/mL with the limit of quantitation (LOQ) at 0.20 mg/mL. The recovery ranged from 80.8% to 83.8% with RSD ranges from 5.5% to 11.1%. The validated method was successfully used to determine the concentration of LTG in human simulate serum samples.

CAS / MDL: 2206-27-1
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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Interface charge induced self-assembled (Co(OH)2)4@La(OH)3 heterojunction derived from Co4-MOF@La(HCO2)3 to boost oxygen evolution reaction

Le Gao,Yawen Li,Guifang Li,Jiaqi Huo,Lishan Jia

Interface engineering as an effective material modification method can regulate local corresponding interfacial geometry and electronic structures, thus enabling a higher intrinsic activity for the oxygen evolution reaction (OER). Herein, we carefully designed p-p heterojunction precursor Co4-MOF@La(HCO 2 ) 3 with internal electric field through electrostatic adherence, which then in-situ transformed into p-p type heterojunction electrocatalyst (Co(OH) 2 )4@La(OH) 3 under KOH activation strategy. The one-step in-situ conversion of (Co(OH) 2 )4@La(OH) 3 generated the interface with significant difference in metal atomic radius and exhibits fascinating nanostructures, which enhances the specific surface area and increases the number of active sites compared with the parent material. Impressively, the obtained material (Co(OH) 2 )4@La(OH) 3 demonstrates satisfying electrocatalytic activity in OER with a low overpotential of only 233 mV to reach a current density of 20 mA cm −2 , and excellent stability for 50 h at 10 mA cm −2 in alkaline medium. In-situ Raman technique indicates that multivalent Co centers are the true active sites during the OER process. Based on density functional theory (DFT) calculation results, La atoms possess empty d orbitals, which are beneficial to facilitate charge transfer from Co to La at the heterojunction interface. Meanwhile, the introduction of La atoms changes the coordinated environment around the adjacent atoms at the interface, which induces the upshift of the d-band center for Co atoms and increases the binding strength of the adsorbed oxygen intermediate.

CAS / MDL: 100-21-0
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JOURNAL OF ORGANIC CHEMISTRY · 2022 · IF 4.198

Synthesis of Isoquinolone, 1,2-Benzothiazine, and Naphtho[1′,2′:4,5]imidazo[1,2-a]pyridine Derivatives via Rhodium(III)-Catalyzed (4 + 2) Annulation

Yueyue Zhu,Rupeng Dai,Chaoqun Huang,Wang Zhou,Xiaoyuan Zhang,Kundi Yang,Hongmei Wen,Wei Li,Jian Liu

In this study, we report a novel and efficient synthetic method to construct isoquinolone scaffold via the Rh(III)-catalyzed (4 + 2) annulation of benzamide with an unreported coupling reagent methyl 2-chloroacrylate. Accordingly, other valuable 1,2-benzothiazine and naphtho[1′,2′:4,5]imidazo[1,2-a]pyridine derivatives are also obtained through a similar synthetic protocol. Thus, our developed method is highlighted by high yield and reaction versatility.

研究领域: 有机化学 · 药物化学
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ADSORPTION SCIENCE & TECHNOLOGY · 2013 · IF 0.559

Performance of Poly(Styrene—Divinylbenzene) Magnetic Porous Microspheres Prepared by Suspension Polymerization for the Adsorption of 2, 4-Dichlorophenol and 2, 6-Dichlorophenol from Aqueous Solutions

Ping Yu,Qilong Sun,Jianming Pan,Zhenjiang Tan,Jiangdong Dai,Yongsheng Yan,Feng Cheng

Poly(styrene–divinylbenzene)/Fe3O4 (Fe3O4@St–DVB) magnetic porous polymer microspheres based on suspension polymerization were prepared for adsorption of 2, 4-dichlorophenol (2, 4-DCP) and 2, 6-dichlorophenol (2, 6-DCP) from aqueous solution. The as-prepared product was characterized by Fourier transform infrared spectroscopy, Raman, X-ray diffraction, scanning electron microscopy, thermogravimetric analysis, differential thermal analysis and elemental analysis. The results showed that the composite material has both porous and magnetic characteristics, which aid in faster separation and increase in adsorption capacity. The adsorption performance of the Fe3O4@(St–DVB) magnetic porous microspheres was manifested by batch mode adsorption experiments with respect to pH, initial concentration, contact time and temperature. The adsorbent was found to be sensitive to changes in pH, and the adsorption capacity of 2, 4-DCP is higher than that of 2, 6-DCP. The kinetics experimental data fitted well with the pseudo-second-order model, as three steps belonged to the pseudo-second-order adsorption process. The adsorption isotherms were also described by the Langmuir and Freundlich isotherm models, respectively. It was found that the Langmuir isotherm model fitted the equilibrium data superior to the Freundlich model. Thermodynamic parameters were calculated by the Gibbs free energy function, confirming that adsorption process was spontaneous and endothermic. In addition, the reusability performance of the Fe3O4@(St–DVB) magnetic porous microspheres was demonstrated by four repeated cycles.

研究领域: 环境科学 · 材料科学 · 化学工程
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ACTA CHIMICA SLOVENICA · 2017 ·Vol. 64 ·期 4 ·825-831 · IF 0.983

Synthesis, Crystal Structures, Molecular Docking and MAO-B Inhibitory Activity of Transition Metal Complexes Derived from 2-(4-(Pyridin-2-yl)piperazin-1-yl)acetic Acid.

Ren YJ,Zhu JL,Zhang LX,Xu YX,Qian SS.

Three new complexes derived from 2-(4-(pyridin-2-yl)piperazin-1-yl)acetic acid (HL), [M(L)2(H2O)2] where M = CuII (1), ZnII (2) and CdII (3), have been synthesized and characterized by IR spectroscopy, elemental analysis and X-ray crystallography. The inhibitory activity of these three complexes against MAO-B was tested in vitro, and the molecular docking experiments were also carried out to rationalize their binding models. Both the experimental and docking simulation results indicated that complex 1 has the best inhibitory activity with IC50 value being 6.5 ± 0.31 μM.

研究领域: 无机化学 · 药物化学 · 生物无机化学 · 神经药理学 · 结构化学
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Journal of Materials Chemistry C · 2024 ·Vol. 12 ·期 8 ·2764-2771 · IF 5.7

Acid–base regulated inclusion complexes of β-cyclodextrin with 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,4′-bipyridinium dichloride displaying multistimuli-responsive chromic behaviors and photomodulable fluorescence

Xiao-Feng Wang,Chen-Yan Xu,Rui-Lian Lin,Wen-Qi Sun,Ming-Fu Ye,Li-Xin Xu,Jing-Xin Liu

Multistimuli-responsive materials are highly desirable due to their convenient controllability and potential applications in smart window, sensor and bionic manufacturing. Herein, we designed and synthesized a guest molecule 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,4′-bipyridinium dichloride (FOV·Cl2), whose ketone–enol tautomerism (FOV2+ ↔ FHV+) in aqueous solution is governed by pH values. The solid-state inclusion complex formed β-cyclodextrin (β-CD) and FOV2+ (in the ketone form) demonstrated multiple chromic behaviors under the external stimuli of light, heat and vapors of ammonia and some organic amines, which were characterized by UV-vis and ESR spectroscopy. For comparison, the chromic behavior of the solid-state inclusion complex of β-CD with FHV+ (in the enol form) was also investigated. In addition, we found that the fluorescence emission of the inclusion complex FOV2+@β-CD can be reversibly modulated by the photochromic process. The chromic and fluorescent properties of the FOV2+@β-CD endow it with practical utility in inkless printing, ammonia sensing and multiple anti-counterfeiting. This work focused on demonstrating the multistimuli-responsive chromic behaviors of the inclusion complexes and exploring their promising applications.

研究领域: 化学 · 材料科学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2024 · IF 8.1

Stepwise extraction of Cu, Co, and Ni from hazardous waste: A novel process based on ammonia leaching and 2-((4-butylphenoxy)methyl)pyridine (BMPY) extraction system

Haokai Peng,Qiyuan Zheng,Zuoying Cao,Shengxi Wu,Qinggang Li,Mingyu Wang,Wenjuan Guan,Guiqing Zhang

The extraction of Cu, Co, and Ni from spent batteries and spent catalysts is crucial for resource recovery and environmental pollution reduction. Ammonia leaching offers a promising alternative in the hydrometallurgical treatment of these hazardous waste due to its selective leaching properties. However, the development of this method has been impeded by the lack of efficient extractants. In this work, an efficient extractant, 2-((4-butylphenoxy)methyl)pyridine (BMPY), was designed and synthetized. Utilizing the high affinity of BMPY for Cu, Co, and Ni and exploiting the different ionic association states of these metals at different pH levels, an effective process for separating Cu, Co, and Ni from ammonia leach solution was proposed, producing CuSO 4 , CoSO 4 , and NiSO 4 with over 99.9 % purity. Mechanism investigations and pilot-scale experimental validation have demonstrated that the ammonia leaching-BMPY extraction process is a viable method for extracting Cu, Co, and Ni from hazardous waste, with significant potential for industrial application.

研究领域: 冶金学 · 环境科学 · 材料科学
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Marine Drugs · 2021 ·Vol. 19 ·期 2 ·119 · IF 5.118

Cysteine [2,4] Disulfide Bond as a New Modifiable Site of α-Conotoxin TxIB

Baojian Zhang,Maomao Ren,Yang Xiong,Haonan Li,Yong Wu,Ying Fu,Dongting Zhangsun,Shuai Dong,Sulan Luo

α-Conotoxin TxIB, a selective antagonist of α6/α3β2β3 nicotinic acetylcholine receptor, could be a potential therapeutic agent for addiction and Parkinson’s disease. As a peptide with a complex pharmacophoric conformation, it is important and difficult to find a modifiable site which can be modified effectively and efficiently without activity loss. In this study, three xylene scaffolds were individually reacted with one pair of the cysteine residues ([1,3] or [2,4]), and iodine oxidation was used to form a disulfide bond between the other pair. Overall, six analogs were synthesized with moderate isolated yields from 55% to 65%, which is four times higher than the traditional two-step oxidation with orthogonal protection on cysteines. The cysteine [2,4] modified analogs, with higher stability in human serum than native TxIB, showed obvious inhibitory effect and selectivity on α6/α3β2β3 nicotinic acetylcholine receptors (nAChRs), which was 100 times more than the cysteine [1,3] modified ones. This result demonstrated that the cysteine [2,4] disulfide bond is a new modifiable site of TxIB, and further modification can be a simple and feasible strategy for the exploitation and utilization of α-Conotoxin TxIB in drug discovery.

研究领域: 药理学 · 神经科学 · 药物化学
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JOURNAL OF MOLECULAR STRUCTURE · 2016 · IF 1.78

Synthesis, crystal structures, molecular docking, in vitro monoamine oxidase-B inhibitory activity of transition metal complexes with 2-{4-[bis (4-fluorophenyl)methyl]piperazin-1-yl} acetic acid

Dan-dan Yang,Riu Wang,Jin-long Zhu,Qi-yue Cao,Jie Qin,Hai-liang Zhu,Shao-song Qian

Three novel complexes, [Cu( L ) 2 (H 2 O)]( 1 ), [Zn( L ) 2 (H 2 O) 2 ]·CH 3 OH·1.5H 2 O( 2 ), and [Ni( L ) 2 (H 2 O) 1.8 ]·CH 3 OH·1.2H 2 O ( 3 ) (HL = 2-{4-[bis(4-fluorophenyl)methyl]pipera-zin-1-yl} acetic acid), were synthesized and structurally determined by single-crystal X-ray diffraction. Molecular docking study preliminarily revealed that complex 1 had potential Monoamine oxidase B inhibitory activity. All acquired compounds were tested against rat brain MAO-B in vitro. In accordance with the result of calculation, it showed complex 1 (IC 50  = 1.85 ± 0.31  μ M) have good inhibitory activity against MAO-B at the same micromolar concentrations with positive control Iproniazid Phosphate (IP, IC 50  = 7.59 ± 1.17  μ M). These results indicated that complex 1 was a potent MAO-B inhibitor.

研究领域: 药物化学 · 结构生物学 · 神经科学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2025 · IF 9

Catalytic debromination of 2, 2′, 4, 4′ – Tetrabromodiphenyl ether by low-cost mechanochemically synthesized graphite-doped oxalated Fe/Ni bimetals: Enhanced generation of adsorbed atomic H and secondary risk control

Kuang Wang,Zhanqiang Fang

In this work, a cost-effective ball-milling technique was employed to synthesize submicron oxalated zero-valent iron co-doped with graphite and nickel (G@Fe OX bm /Ni), aiming to enhance the removal efficiency of the recalcitrant pollutant 2, 2′, 4, 4′ – tetrabromodiphenyl ether (BDE-47) while minimizing secondary risks. The incorporation of graphite significantly improved the debromination efficiency of BDE-47, with a rate constant of 0.26 day −1 in a tetrahydrofuran/water system, which represents a 59.88 % increase over the oxalated zerovalent Fe/Ni without graphite (0.16 day −1 ). The determination of Ni leaching showed that no nickel ions were detected post-reaction over a broad pH range (3–11). Moreover, the reactivity of G@Fe OX bm /Ni was largely unaffected across the pH range (0.26–0.49 day −1 ), exhibiting excellent resistance to acidic and alkaline conditions. In both ultrapure water and real groundwater matrices, the degradation rate constants for BDE-47 increased to 2.98 day −1 and 0.79 day −1 , respectively, achieving debromination yields of 97.86 % and 50.18 % for the final product, diphenyl ether. Based on the established degradation pathway and electrochemical analysis, the debromination of BDE-47 follows a catalytic debromination and hydrogenation process by adsorbed atomic hydrogen (H* ADS ). The graphite doping enhanced the debromination of BDE-47 by increasing the production of H* ADS . The adsorption effect of graphite on metal ions effectively controlled secondary pollution and improved the material’s tolerance to acidic and alkaline environments. This work offers an efficient method for the degradation of low brominated diphenyl ether pollutants at a low cost and without secondary risks.

研究领域: 环境科学 · 材料科学
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