JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
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2023
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IF 6
Yongdi He,Jinou Song,Yuan Zhuang,Yongfeng Liu,Jibiao Xie
In order to investigate the effects of 1- nitropropane ( 1- NP) on the pyrolysis of n- hexane , the pyrolysis processes of pure n- hexane and n- hexane/ 1- NP mixture in a jet-stirred reactor (JSR) were experimentally studied at atmospheric pressure with the technique of synchrotron ultraviolet photoionization mass spectrometry (SVUV-PIMS). The pyrolysis experiments of pure n- hexane and n- hexane/ 1- NP mixture were performed in the temperature ranges of 673–1143 K and 598–1128 K, respectively. The species pools for the pyrolysis of pure n- hexane and n- hexane/ 1- NP mixture were comprehensively determined and 25 species for pyrolysis of pure n- hexane versus 18 species for pyrolysis of n- hexane/ 1- NP mixture were identified. Based on the photoionization mass spectra scanned at different photon energies, the mole fraction profiles of all the pyrolysis species were evaluated. The experimental results showed that the initial pyrolysis temperature of n- hexane was observably reduced by 75 K with the addition of 1- NP, and the initial formation temperatures (IFTs) of some major pyrolysis products and important intermediates were correspondingly reduced. A high degree of conformity in the species pools of the pyrolysis of pure n- hexane and n- hexane/ 1- NP mixture (at both low and atmospheric pressures) was observed. On the basis of the experimental observations, modeling simulations and mechanisms proposed in previous studies, the low-temperature mechanisms for the 1- NP-initiated pyrolysis of n- hexane were discussed. A mechanism, including unimolecular dissociation reactions of 1- NP, radical reactions to produce highly active radicals, H-abstraction reactions of n- hexane and subsequent C-C bond dissociation reactions of hexyl radicals, was proposed.
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Environmental Science-Nano
·
2023
·Vol. 11
·期 1
·459-469
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IF 7.3
Hu Meng,Zhiwen Liu,Xiaoxin Wang,Liang Feng
Compared with carbon dioxide, fluorinated greenhouse gases (F-type gases), such as hydrofluorocarbons (HFCs), perfluorocarbons (PFCs) and sulfur hexafluoride (SF6), have a stronger greenhouse effect, and their global warming potential can reach thousands or even tens of thousands of times that of carbon dioxide. Thus, the rapid online accurate detection of fluorinated greenhouse gases is highly desired and it can provide a basis for the evaluation of the greenhouse effect and a yardstick for the formulation of emission reduction measures. Unfortunately, these highly noble chemical gas molecules, especially at trace concentration levels, are extremely difficult to detect with conventional rapid screening methods. The use of the most common gas sensing techniques, semiconducting metal oxides, in the detection of HFCs and PFCs has not appeared within the scope of our knowledge. Herein, we report a novel N-doped tin oxide semiconducting metal oxide prepared by using a facile hydrothermal method. The experimental characterization results showed that the as-prepared materials were uniform spherical nanoparticles. The doping ratio of N-doped tin oxide was further optimized, and gas-sensing tests using these materials were carefully conducted. The results showed that the sensor had good detection performance for F-type gases, represented by SF6, C2F6 and C2H2F4, including low working temperature (200 °C), high selectivity, good repeatability, relatively high response, and low limit of detection (LOD ∼7 ppb). To the best of our knowledge, this is the first report on an F-type gas sensor based on semiconductor metal oxide. The ultra-fine particle size and uniform morphology of spherical particles, high concentration of oxygen vacancy defects and N doping contribute to the excellent performance of the sensor.
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Nano Energy
·
2023
·
IF 17.6
Wei Zhong,Siwu Li,Mengchuang Liu,Qiang Wu,Ziqi Zeng,Shijie Cheng,Jia Xie
The self-sacrificing Li 2 C 2 O 4 is a promising lithium replenisher benefiting from its high specific capacity, residue-free and low-cost properties. However, the intrinsic low electrochemical activity leads to a decomposition potential up to 4.7 V, posing a challenge for the compatibility of electrolyte and cathode materials . Herein, a three-dimensional (3D) hierarchical spherical Mo 2 C/N-doped graphene co-catalysts is synthesized by self-polymerization and high-temperature annealing. It is shown that the synergistic catalytic effect of Mo 2 C and N-doped activated graphene enhances the reactivity of Li 2 C 2 O 4 and the hierarchical three-dimensional conducting network accelerates the electron-ion transport. When the nano-Li 2 C 2 O 4 is homogeneously encapsulated in the spherical catalytic center using a freeze-drying technique, the electrochemical reaction of Li 2 C 2 O 4 is greatly promoted, resulting a significant drop of decomposition potential from 4.7 V to 4.16 V. As a result, the specific capacity of Gr||LFP and SiC||LFP full cells with composite lithium replenisher can be increased by 15% and 22%, respectively. Moreover, the solid electrolyte interface (SEI) is appropriately strengthened with pre-lithiation and thus guarantees superior cycling performance.
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JOURNAL OF SOLID STATE ELECTROCHEMISTRY
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2023
·
IF 2.5
Zhang Xiaodong,Zhang Guofeng
The materials conventionally used for electrocatalysis in electrocatalytic Fenton applications are unstable and perform poorly. Based on the fact that iron and copper are common electrocatalytically active metals, they can provide abundant electron transfer capacity to facilitate electron transfer in the reaction and further promote the electrical conductivity of nitrogen-doped doped carbon materials Here, FeCu alloy/N-doped carbon composites (FeCu/N-C) are prepared for the electrocatalytic degradation of naproxen (NPX). Characterization results reveal that FeCu/N-C has more active sites, a larger surface area, and faster charge transport than N-doped carbon composites (N-C). Meanwhile, the increased number of active sites, surface area, and electron transport result in excellent NPX electrocatalytic degradation efficiency. The FeCu/N-C composite exhibits higher degradation efficiency than N-C under optimal conditions. In addition, the degradation efficiency is sustained at around 100% after five cycles. A detailed analysis of the mechanism reveals that 1 O 2 and ·OH are the primary active species responsible for NPX degradation through bursting studies. A potential pathway for the NPX degradation is proposed. This study provides a new and feasible method for developing carbon-based electrocatalysts to expand their applications in the environmental field.
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INORGANIC CHEMISTRY COMMUNICATIONS
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2023
·
IF 3.8
Haimei Liu,Cheng Qian,Tao Wang,Sheng Wang
Introducing oxygen vacancies (Vo) into TiO 2 photocatalyst has been considered an effective strategy for improving solar photocatalytic activity. In this study, we used dodecylamine as a structure-directing agent to prepare amorphous hydrated TiO 2 spheres through a simple hydrolysis reaction. After calcination at 500 °C for 2h, we successfully synthesized spherical anatase TiO 2 with Vo mediated by N doping. By decorated with 1 wt% Pt as a cocatalyst, the resulting Vo-containing N-TiO 2 -2h spheres exhibited excellent performance under ultraviolet–visible illumination. The catalyst showed a hydrogen evolution rate of 1183.97 μmol g -1 h −1 , which is 1.4 times greater than that of the commercial anatase TiO 2 spheres with the same specific surface area. The enhanced photocatalytic activity of the Vo-containing Pt/N-TiO 2 -2h for hydrogen generation is attributed to that N-doping-induced Vo, which can produce electron trapping states to inhibit the direct recombination of photogenerated carriers. The presence of Pt co-catalysts further suppresses the recombination of electron–hole pairs, accelerating the rate of the entire photocatalytic reaction.
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EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
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2023
·
IF 6.7
Hewen Qian,Yuanqing Ding,Xingyu Deng,Weiwei Huang,Zhenzhen Li,Fengling Liu,Jie Zhang,Lihui Wang,Junping Liu,Yaxia Yuan,Shurong Hou,Xiabin Chen,Lei Ma
Idiopathic pulmonary fibrosis (IPF) is a severe and progressive lung disease with poor prognosis and limited treatment options. The c -Jun N-Terminal Kinase 1 (JNK1), a key component of the MAPK pathway, has been implicated in the pathogenesis of IPF and represents a potential therapeutic target. However, the development of JNK1 inhibitors has been slowed, partly due to synthetic complexity in medicinal chemistry modification. Here, we report a synthesis-accessibility-oriented strategy for designing JNK1 inhibitors based on computational prediction of synthetic feasibility and fragment-based molecule generation. This strategy led to the discovery of several potent JNK1 inhibitors, such as compound C6 (IC 50 = 33.5 nM), which exhibited comparable activity to the clinical candidate CC-90001 (IC 50 = 24.4 nM). The anti-fibrotic effect of C6 was further confirmed in animal model of pulmonary fibrosis . Moreover, compound C6 could be synthesized in only two steps, compared to nine steps for CC-90001 . Our findings suggest that compound C6 is a promising lead for further optimization and development as a novel anti-fibrotic agent targeting JNK1. In addition, the discovery of C6 also demonstrates the feasibility of synthesis-accessibility-oriented strategy in lead discovery.
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PubMed
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ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2023
·
IF 11.4
Zimou Feng,Xunda Feng,Xinglin Lu
Fouling-resistant surfaces are needed for various environmental applications. Inspired by superhydrophilic N-oxide-based osmolytes in saltwater fish, we demonstrate the use of a trimethylamine N-oxide (TMAO) analogue for constructing fouling-resistant surfaces. The readily synthesized N-oxide monomer of methacrylamide is grafted to filtration membrane surfaces by surface-initiated atom transfer radical polymerization (SI-ATRP). Successful grafting of the amine N-oxide brush layer as confirmed by material characterization endows the surface with increased hydrophilicity, reduced charge, and decreased roughness. Notably, the introduction of the N-oxide layer does not compromise transport properties, i.e., water permeability and water-salt selectivity. Moreover, the modified membrane exhibits improved antifouling properties with a lower flux decline (32.1%) and greater fouling reversibility (18.55%) than the control sample (45.4% flux decline and 3.26% fouling reversibility). We further evaluate foulant–membrane interaction using surface plasmon resonance (SPR) to relate the reduced fouling tendency to the synergic effects of surface characteristic changes after amine N-oxide modification. Our results demonstrate the promise and potential of the N-oxide-based polymer brushes for the design of fouling resistance surfaces for a variety of emerging environmental applications.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2023
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IF 6.2
Shangqing Qu,Jinhao Chen,Jikun Chen,Guohong Cai,Yonggang Wang,Zhongnan Guo,Jing Zhao,Quanlin Liu
Pavonite homologues are semiconductors that show potential for thermoelectric applications. Herein, we report the synthesis of a quaternary selenide, In 0.5 Mn 2 Bi 3.5 Se 8 , that exhibits good thermal stability below 1032 K. Whereas most pavonite compounds exhibit the metallic properties of degenerate semiconductors, In 0.45 Mn 2.17 Bi 3.38 Se 8 possesses a band gap of 0.85 eV. In addition, its electrical conductivity and Seebeck coefficient exceed 3 S/cm and 300 μV/K at 810 K, respectively, with the compound mainly displaying semiconductor properties . In 0.45 Mn 2.17 Bi 3.38 Se 8 exhibits paramagnetism at room temperature followed by a paramagnetic-to-antiferromagnetic transition at ∼10.2 K. Our findings enrich the current understanding of the pavonite homologous series, providing useful insight for future exploration in related fields.
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2023
·Vol. 30
·期 36
·85578-85591
·
IF 5.8
Tang Jielin,Qin Jinyan,Kuerban Guzailinuer,Li Jiayi,Zhou Qinyu,Zhang Hongdan,Sun Rongli,Yin Lihong,Pu Yuepu,Zhang Juan
As an emerging flame retardant, organic phosphate flame retardants have been extensively used worldwide. The aim of this study is to determine the effects of TnBP on neurobehavior of Caenorhabditis elegans ( C. elegans ) and its mechanisms. L1 larvae of wild-type nematodes (N2) were exposed to TnBP of 0, 0.1, 1, 10, and 20 mg/L for 72 hours. Then, we observed that the body length and body width were inhibited, the head swings were increased, the pump contractions and chemical trend index were reduced, the production of reactive oxygen species (ROS) was increased, and the expression of mitochondrial oxidative stress related genes ( mev-1 and gas-1 ) and P38 MAPK signal pathway-related genes ( pmk-1 , sek-1 , and nsy-1 ) was altered. After reporter gene strains BZ555, DA1240, and EG1285 were exposed to TnBP of 0, 0.1, 1, 10, and 20 mg/L for 72 hours, the synthesis of dopamine, glutamate, and Gamma-Amino Butyric Acid (GABA) was increased. In addition, the pmk-1 mutants (KU25) led to the sensitivity of C. elegans to TnBP in terms of head swings. The results showed that TnBP had harmful effects on the neurobehavior of C. elegans , oxidative stress might be one of the mechanisms of its neurotoxicity, and P38 MAPK signal pathway might play an important regulatory role in this process. The results revealed the potential adverse effects of TnBP on the neurobehavior of C. elegans .
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COMBUSTION AND FLAME
·
2023
·
IF 4.4
Bingzhi Liu,Qimei Di,Maxence Lailliau,Nesrine Belhadj,Philippe Dagaut,Zhandong Wang
Attractiveness in advanced low-temperature combustion engines drives a constantly updated understanding of low-temperature oxidation chemistry. In this work, the low-temperature oxidation chemistry of n -pentane in two jet-stirred reactors at atmospheric pressure and in the temperature range of 500–825 K was investigated using combined analysis methods of synchrotron vacuum ultraviolet photoionization mass spectrometry , gas chromatography, and Fourier transform infrared spectroscopy. Furthermore, the gaseous mixture from JSR was collected in acetonitrile for subsequent product characterization using flow injection analysis , high-pressure and ultra-high-pressure liquid chromatography coupled to a Thermo Scientific™ Orbitrap® Q-Exactive high-resolution mass spectrometry. Numerous intermediate species were identified by these analytical methods, which contributed to unraveling the low-temperature oxidation reaction network of n -pentane. A detailed n -pentane model was tentatively developed to reduce deviations between experimental measurements and model predictions by updating the rate constants of C 5 keto-hydroperoxide decomposition, C 5 hydroperoxy cyclic ether decomposition, and Korcek reactions of C 5 keto-hydroperoxide, and by introducing pressure-dependent rate constants for the reaction classes of Q ˙ OOH + O 2 , Q ˙ OOH decompositions, concerted HȮ 2 -elimination of RȮ 2 , C 5 keto-hydroperoxide decomposition, C 5 hydroperoxy cyclic ether decomposition, and Korcek reactions of C 5 keto-hydroperoxide, and by adding more detailed sub-mechanisms for C 5 cyclic ethers and C 5 keto-hydroperoxides. This updated model was validated against a set of available experimental data, including jet-stirred reactor species data and ignition delay times. These exploratory updates of the kinetic model reveal the considerable influence of the rate constants of hydroperoxide decomposition and the pressure-dependent rate constants of key reaction classes on the kinetic model predictions, highlighting the future demands for high-precision quantum chemistry calculations of the pressure-dependent rate constants of the aforementioned reaction classes to reduce mechanism uncertainties and to develop accurate and robust chemical kinetic models.
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Journal of Energy Storage
·
2023
·
IF 9.4
Huizi Li,Tingyao Du,Qin Wang,Jianyu Guo,Siyong Zhang,Yan Lu
In this work, a novel carbonization method using H 2 SO 4 as dehydrating agent to prepare graphitized carbon material with O doping is firstly reported. Starch is used as the carbon source. After dehydration in H 2 SO 4 at 100 °C for 6 h, an O-enriched carbon material (OSC) is prepared. It exhibits a specific capacitance of 354 F g −1 at the current density of 1 A g −1 in 1 M H 2 SO 4 solution. After 20,000 cycles, the capacitance retention remains at 110.2 %. It is proved that appropriate amounts of doping O can provide a certain pseudocapacitance , and also improve the wettability of the material, which therefore improve the electrochemical performance of the carbon material. Further, a vapor deposition method using dicyandiamide is applied to grow N-doped carbon nanotubes on the smooth surface of the OSC, which form a three-dimensional conductive network structure on the surface and get a suitable porous structure with the specific surface area of 355 m 2 /g (NOSC). The specific capacitance of the NOSC is 759 F g −1 at the current density of 1 A g −1 in 1 M H 2 SO 4 solution. After 10,000 cycles, the capacitance retention still remains at 95.8 %. The assembled all-solid symmetric supercapacitor based on the NOSC can be operated in a 0–1.8 V voltage window. The energy density is 41.12 Wh kg −1 with a power density of 449.95 W kg −1 .
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2023
·
IF 7.2
Na Wu,Xiaoqiang Du
One of the most attractive means for mitigation of environmental pollution is to produce hydrogen by electrocatalytic urea splitting. In the paper, the heterogeneous interfacial rich N–CuCo 2 S 4 @Ni 3 S 2 material was in situ synthesized on nickel foam through a typical hydrothermal and sulfuration process. This N–CuCo 2 S 4 @Ni 3 S 2 electrode displays excellent urea oxidation performance (potential of 1.38 V@50 mA cm −2 ), which is one of the best reactivity reported so far. Experimental results show that the superior catalytic activity is attributed to the rapid charge transfer, more reaction center exposed and superior electrical conductivity . Density functional theory shows that this Ni 3 S 2 material accelerates the reaction rate in the catalytic process, the introduction of this N–CuCo 2 S 4 material improves the conductivity of the material, and the synergistic catalysis of the N–CuCo 2 S 4 and Ni 3 S 2 makes this N–CuCo 2 S 4 @Ni 3 S 2 material exhibit superior urea oxidation activity. Notably, long-term tests have shown a decrease in catalytic activity, which suggests that the surface of the sulfide is in situ generated to oxides or hydroxides, which are truly active species. This work provides a new idea for the development of efficient and stable urea oxidation catalysts for sulfides.
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