JOURNAL OF MOLECULAR STRUCTURE
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2026
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IF 4.7
Xutao Ding,Li Zeng,Peijian Ma,Rui Wang,Jinlong Yao,Zhichao Yu,Yu Xia,Xin Xiao
Nitrotoluene isomers are vital chemical intermediates, but their separation is challenging due to similar properties. This work introduces a supramolecular strategy using cucurbit[8]uril (Q[8]) to selectively isolate ortho-nitrotoluene (ONT). Through methods including single-crystal XRD, ITC, GC, and theoretical calculations, host–guest interactions in formic acid were characterized. Gradient solvent volatilization of Q[8] with isomer mixtures enabled controlled crystallization. Results show Q[8] strongly prefers ONT, with binding constants of 3.628×10⁶ M⁻¹ (ortho) vs. 8.712×10⁵ M⁻¹ (meta) and 2.173×10⁵ M⁻¹ (para), giving selectivity ratios of 4.16 and 13.37, respectively. Crystal structures reveal stabilization via π–π stacking and hydrogen-bonding networks. These interactions drive multidimensional assembly into ordered architectures through synergistic surface interactions, hydrogen bonding, and aromatic stacking. This work extends cucurbituril applications in adsorption and separation.
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JOURNAL OF CHROMATOGRAPHY A
·
2026
·
IF 4
Chengzhe Zhou,Zurong Wang,Shuaibo Shao,Xiaoyi Wang,Qidong Yu
A novel cationic guanidine COF with abundant hydrogen-bonding sites was designed for the efficient and specific enrichment of NBs. • A SPME-GC-MS method was established for the detection of trace NBs with extremely high sensitivity. • The established method was successfully applied to the enrichment and detection of trace NBs in different tea samples with excellent accuracy. Tea ( Camellia sinensis ) is deeply loved by consumers worldwide, with hundreds of millions of people maintaining daily tea-drinking habits, making its food safety a significant concern. Among various potential contaminants, hydrophilic nitrobenzene compounds (NBs) are particularly problematic due to their high solubility in tea infusion, strong bioaccumulation potential, and high toxicity. Even trace residues can migrate into the tea infusion during brewing, posing long-term risks to human health. Therefore, Monitoring trace NBs in tea is crucial. However, due to matrix interference from tea leaves and the extremely low concentrations of NBs, existing standard methods cannot accurately quantify trace NBs in tea. To address this challenge in enrichment and analysis, this study, based on the physicochemical properties of NBs, designed and prepared a cationic guanidine covalent organic framework (COF), named TG-DHTP. This material contains abundant hydrogen bond donors (N-H, O-H) and cationic sites (= + NH-), enabling efficient and selective enrichment of NBs through synergistic interactions including O-H···O hydrogen bonds, N-H···O hydrogen bonds, electrostatic attraction, π-π interactions, and van der Waals forces. By combining TG-DHTP with SPME-GC-MS, an analytical method was established for trace NBs in tea. The established method exhibited a broad linear range (80.0–10000.0 ng L -1 ), low detection limit (20.0 ng L -1 ), and good recoveries (83.6–117.6%). This study not only provides a reliable analytical method for monitoring trace NBs in tea, but also offers a rational design strategy for developing new adsorbent materials targeting polar and hydrophilic contaminants in food safety. Download: Download high-res image (160KB) Download: Download full-size image
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RSC Advances
·
2023
·Vol. 13
·期 3
·2024-2035
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IF 3.9
Jiale Wu,Liguo Wang,Shuang Xu,Yan Cao,Ziqiang Han,Huiquan Li
Developing efficient and green catalytic systems is highly desired in the syntheses of alicyclic amines via hydrogenation of nitroaromatics. Herein, we developed Ru–Pd dual active site catalysts in which Ru and Pd species were anchored and highly dispersed on air-exfoliated carbon nitride (Ru–Pd/C3N4-air). As-prepared catalysts were employed in the hydrogenation of nitrobenzene (NB) to cyclohexylamine (CHA). Compared with single Ru or Pd based catalysts, Ru–Pd dual active site catalysts obtained a higher CHA production rate of 26.7 mol CHA mol−1 Ru·Pd h−1 at 80 °C and 3 MPa H2. The activation energy for the hydrogenation of the nitro group and benzene ring was calculated as 26.26 kJ mol−1 and 66.30 kJ mol−1, respectively. Intrinsic kinetic studies demonstrated that Pd was the dominant metal for hydrogenation of nitro group, while Ru was dominant for benzene ring. Thereinto, the corresponding non-dominant metals enhanced activation and dissociation of H2, thereby improving catalytic activity significantly. This excellent performance of Ru–Pd catalysts could be attributed to highly dispersed Ru–Nx and Pd–Nx at a nanoscale distance, which was conducive to metal-assisted hydrogenation. Stability investigation showed that the performance of Ru–Pd catalysts could be essentially maintained at a high level. Additionally, the substrate scope could be successfully extended to hydrogenation of other nitroaromatics with different substituents.
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JOURNAL OF RARE EARTHS
·
2022
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IF 4.632
Shu Xie,Fei Li,Fengyi Liu,Quanqing Xu,Xufeng Zhang
Luminescent hydrogels have received considerable attention in the application of sensors . Nitroaromatics are harmful to human health and can be carcinogenic . Some skin allergies and central nervous system injuries may also be attributed to the over exposure to nitroaromatics. Thus, nitroaromatics sensor with fast detection and low detection limit is highly desirable. Herein, novel tough hydrogels were prepared by introducing hydrogen bonds and covalent bonds into the interpenetrating networks of modified chitosan and poly(vinyl alcohol) (PVA) via frozen-thawing induced chemical cross-linking. The synthesized hydrogels exhibit high mechanical strength (0.23 MPa tensile strength at 140% tensile strain , 1.0 MPa compressive strength at 80% compressive strain). Strong green emission was realized by energy transfer from the modified chitosan to Tb 3+ via the so-called “antenna effect.” The prepared luminescent hydrogels show an excellent detection effect on nitroaromatic compounds and its detection limit can reach ppm-level. The hydrogels also exhibit good reversibility and a fast “off–on” fluorescence switching process. This work may open up a new way for the development of stable, rapid, and reusable sensors for the detection of harmful nitroaromatics.
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MARINE POLLUTION BULLETIN
·
2023
·
IF 5.8
Kunpeng Wang,Liju Tan,Yuewei Zhang,Dongmei Zhang,Na Wang,Jiangtao Wang
P-nitrophenol (4-NP) is the most persistent and highly toxic species among nitrophenol. In this work, a novel fluorescent probe for the detection of 4-NP in aqueous environment was constructed by combining the carbon dots (CQDs) with excellent optical properties and the molecularly imprinted polymer (MIP) with favorable selectivity . The CQDs were synthesized by hydrothermal method using citric acid hydrate as carbon source and o -phenylenediamine as surface modifier, then the molecularly imprinted polymers coating on the CQDs (MIP@CQDs) were obtained by sol-gel imprinting process. The fluorescence quenching of MIP@CQDs is the results of internal filtration effect and dynamic quenching when they encounter with 4-NP. The probe is suitable for the quantitative detection of trace 4-NP in actual aqueous samples, such as tap water , wastewater and seawater, with satisfying recoveries from 95.1 % to 107.8 %, wide detection linear ranges between 0 and 144 μmol/L, low detection limit of 0.41 μmol/L and high selectivity. The detection results are consistent with those of the HPLC method. This work provides a simple, rapid and effective fluorescent detection method for trace 4-NP in aqueous environment.
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MICROCHEMICAL JOURNAL
·
2023
·
IF 4.8
Ma-Lin Cui,Guo-Shi Zhang,Ze-Wen Kang,Xiao-Yan Zhang,Qing-Fan Xie,Miao-Ling Huang,Bing-Qing Wang,Da-Peng Yang
A facile strategy was proposed for the preparation of two fluorescent iridium nanoclusters of IrNCs-1 and IrNCs-2 by heating IrCl 3 in N, N -dimethylacetamide (DMA) and N -Methylformanilide (MFA), respectively. The DMA and MFA are amide compounds and contain electron-rich oxygen and nitrogen atoms. They can be used as electron donors and a fraction of electron charge was transferred to Ir atom to form ligand-to-metal charge transfer (LMCT) complexes. The Ir atoms can be stabilized in LMCT complexes via accepting and localizing the electron density. These LMCT complexes with excellent fluorescent property were defined as the IrNCs. They exhibited obvious excitation wavelength-dependent emission behavior. The emission bands of two IrNCs showed red-shifting with the increasing of excitation wavelength based on the effect of “inhomogeneous broadening”. The IrNCs-1 possessed concentration-dependent emission behavior. With the decreasing of IrNCs-1 concentrations, the fluorescence spectra showed remarkable blue-shifting due to the destruction of intermolecular hydrogen bonds between IrNCs-1. In the presence of p-nitroaniline (p-NA), the fluorescence of IrNCs-1 was significantly quenched and the fluorescence bands red-shifted strongly. According to the Stern-Volmer quenching behavior under different reaction temperature and absorbance spectra of IrNCs-1 in the presence and absence of p-NA, the dynamic quenching mechanism was included. Based on these findings, the fluorescence sensor for p-NA determination was developed with the linear range of 0.1–40 μM and the limit of detection (LOD) of 50 nM. The proposed sensor was successfully applied in the p-NA determination of tap water and lake water samples, suggesting that the novel IrNCs will be a promising candidate as a luminescence sensor.
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APPLIED CATALYSIS A-GENERAL
·
2022
·
IF 5.723
Long Chen,Ze Li,Qinqin Xiao,Miao Li,Yan Xu,Xiaoqing Qiu
In this work, graphite carbon nitride nanosheets (CNNS) with an average thickness of about 1 nm were prepared by stepwise stripping, after surface modification with Cu(II) cluster, which can be applied to construct photoelectrochemical sensors for p-nitrotoluene monitoring. In the detection process, Cu(II) can effectually expedite the separation of photogenerated electron-hole pairs in CNNS, and significantly enhance photocurrent signals for the p-nitrotoluene sensing via the redox action of Cu(II)/Cu(I). More importantly, the change of photocurrent signal of the photoelectrochemical sensor (CNNS-Cu2% as the representative sample) presents a perfect linear relationship with the logarithm of p-nitrotoluene concentration in the range of 0.1–100 μmol L −1 . Therefore, the constructed CNNS-Cu2% photoelectrochemical sensor can be diffusely employed for the trace detection of p-nitrotoluene in the real-time monitoring of water environmental contaminants. This work supplies a novel insight to the better design and construction of efficient and durable photoelectrochemical sensors.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2022
·
IF 9.965
Lixia Li,Qinkai Guo,Baohe Lv,Minxue Zheng,Wang Zhan,Yanhong Liu,Wanzhen Xu,Ruiwei Wang,Hongbo Zeng,Baodong Mao
The mixed-valent magnetite (Fe 3 O 4 ) played a critical role in H 2 O 2 -based Fenton-like system for the removal of chlorophenols, but high activity and cycle stability of the Fe 3 O 4 -based catalysts are still a huge challenge. Herein, a series of surface hydroxyl- and carboxyl-modified Ag 0 /Fe 3 O 4 nanocomposite catalysts were prepared and used to activate H 2 O 2 for degradation chlorophenols pollutants. Under the optimized condition, nearly 100% degradation ratio were achieved within 2–30 min for 2,4-dichlorophenol, 2,3-dichlorophenol, 3,4-dichlorophenol, 2,4,6-trichlorophenol, p-nitrophenol, and 98% degradation ratio for 2,5-dichlorophenol, 2,6-dichlorophenol and 3,5-dichlorophenol,. Moreover, wide pH applicability was obtained for the Ag 0 /Fe 3 O 4 -H 2 O 2 system, where 95% degradation ratio of 2,4-dichlorophenol was still obtained at pH 6.0. The excellent activity of Ag 0 /Fe 3 O 4 catalyst can be ascribed to the incorporation of Ag 0 nanoparticles that accelerated the Fe(III)/Fe(II) transformation with the assistance of surface hydroxyl and carboxyl groups. Detailed mechanism study indicated a pseudo-second-order kinetic model, where the oxidative degradation and reductive degradation pathways coexisted in the system. The surface-modified Ag 0 /Fe 3 O 4 -H 2 O 2 provide a practical catalyst system for the removal of phenol contaminants with high reaction rate, wide pH adaptability, and validity for a series of chlorophenols.
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
·
2022
·
IF 4.831
Qing Li,Yu-Meng Guo,Yue Gao,Guangli Li
Sensitive and selective detection of 2,4,6-trinitrotoluene (TNT) is critical for environmental protection and public health. In this work, a convenient synthesis strategy for preparation of fluorescent PEI-AgNCs was described and further a facile and label-free sensing strategy for detection of TNT was developed. The hyperbranched polyethyleneimine (PEI) were used as template to one-step synthesize functional PEI-AgNCs with bright fluorescence signal and rich amino groups on their surface. PEI can specifically bind to electron-deficient TNT through donor-receptor interaction to form Meissenheimer complex. Interestingly, the absorption spectra of the Meissenheimer complex overlap with the fluorescence emission peak of PEI-AgNCs, thus quenching fluorescence of PEI-Ag NCs through fluorescence resonance energy transfer (FRET). Furthermore, this bonding process also initiate aggregation of PEI-AgNCs and quench the fluorescence of PEI-AgNCs by the aggregation-induced quenching (AIQ) effect. The novel method demonstrates sensitivity with a detection limit for TNT have been obtained as 17 nM. In addition, the proposed sensing method also has good selectivity over other potential interference and displayed a good potential application value in real water samples with satisfactory recoveries, offering a promising platform for sensing TNT in public safety and security environment protection.
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CATALYSIS LETTERS
·
2022
·Vol. 152
·期 12
·3725-3732
·
IF 2.936
Guo Pan,Zhan Yuzhong,Yang Yanliang,Lu Tianliang
The preparation of high-performance supported Pd catalysts for the hydrogenation of aromatic nitro is of great importance. In this paper, covalent-triazine framework (CTF), an organic porous crystalline material connected by covalent bonds, was employed as the support for the preparation of Pd heterogeneous catalyst. The framework of CTF was maintained due to the utilization of cyclohexene as a moderate reductant for PdCl 2 . The catalysts were characterized by transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopy. The influence of reaction conditions (temperature, pressure, reaction time, concentration substrate and catalyst dosage) were investigated. At very mild reaction conditions (30 °C, 0.1 MPa H 2 , 2 mg Pd/CTF), the nitrobenzene was nearly stoichiometric hydrogenated to aniline. The Pd/CTF was effective for the conversion of a series of aromatic nitro compounds to the corresponding aromatic amines with good yield. The results showed that Pd/CTF has good catalytic activity and stability in the heterogeneous catalytic hydrogenation. Graphical Abstract
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APPLIED CATALYSIS B-ENVIRONMENTAL
·
2022
·
IF 24.319
Zhijun Li,Mingyang Zhang,Xiuli Dong,Siqi Ji,Lili Zhang,Leipeng Leng,Honghong Li,J. Hugh Horton,Qian Xu,Junfa Zhu
The realization of efficient and fully controllable synthesis of single atom catalysts is an exciting frontier, yet still challenging in the modern catalysis field. Here we describe a straightforward high-temperature quenching approach to precisely construct isolated palladium atoms supported over cubic indium oxide, with individual palladium atoms coordinated with four neighboring oxygen atoms. This palladium catalyst achieves exceptional catalytic efficiency in the selective hydrogenation of nitrobenzene to aniline, with more than 99% chemoselectivity under almost 100% conversion. Moreover, it delivers excellent recyclability, anti-CO poisoning ability, storage stability, and substrate tolerance. DFT calculations further reveal that the high catalytic activity stems from the optimized electronic structure and the charge states of palladium atoms in the defect-containing indium oxide. Our findings provide an effective approach to engineering single atom catalysts at the atomic level and open the door to a wide variety of catalytic reactions .
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2022
·
IF 7.139
Yong Cheng,Dan Wang,Xiuxiu Wang,Ying-Hua Zhou
The development of catalysts with high activity for tandem reaction are all the ways pursued by chemists. Herein, CuO–Ru 0.3 @Co 3 O 4 has been synthesized and used as efficient tandem catalyst to promote the release of hydrogen from hydrolytic dehydrogenation of ammonia borane (AB) to catalyze the hydrogenation of nitrobenezenes (NBs). The catalyst exhibits the TOF of 29.87 min −1 and provides the apparent activation energy of 45.2 kJ mol −1 for the hydrolytic dehydrogenation of AB. Additionally, benefited from the magnetic separation capability, up to 99% of its initial catalytic activity is retained after four catalytic cycles.
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