CHEMISTRY & BIODIVERSITY
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2025
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IF 2.5
Linlin Cui,Zheng Xu,Yu Zhu,Xuan Liu,Shihao Li,Li Zhao,Zhihua Xing,Guanghuan Shen
This study aimed to design and synthesize a series of novel cordycepin derivatives featuring urea groups to explore the antitumor efficacy of natural product derivatives with enhanced potency. The structures of the target compounds were characterized using infrared spectroscopy (IR), proton/carbon nuclear magnetic resonance spectroscopy ( 1 H and 13 C NMR), high-performance liquid chromatography (HPLC), and high-resolution mass spectrometry (HRMS). In vitro activity against MCF-7, HepG-2, SGC-7901, and HK-2 cells was evaluated using the standard methyl thiazolyltetrazolium assay (MTT), revealing that compound 4l exhibited significant inhibitory effects on HepG-2 cells (IC 50 = 14.86 ± 2.37 µM), outperforming cordycepin. Mechanistic studies indicated that 4l induced dose-dependent apoptosis, arrested the cell cycle at the G 0 /G 1 phase, and activated the intrinsic mitochondrial pathway. Molecular docking simulations further elucidated its binding mode with target proteins. Collectively, compound 4l shows promise as a candidate drug for liver cancer therapy. Graphical Synthesis of a Series of Cordycepin Derivatives and Their Antitumor Activity Study.
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CHEMICAL ENGINEERING SCIENCE
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2025
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IF 4.3
Zehao Han,Jixiao Li,Hao Peng,Linlin Liu,Ying Xu,Ruijie Gao,Kang Xue,Xiaolei Guo,Xiangwen Zhang,Ji-Jun Zou,Lun Pan
To address hypersonic vehicle thermal management via endothermic dehydrogenation, this work studies methylcyclohexane (MCH) dehydrogenation kinetic over Pt/SiO 2 under supercritical conditions. Power-law modeling shows a near-zero MCH order, with hydrogen promoting cracking and isomerization. A Langmuir-Hinshelwood-Hougen-Watson (LHHW) model accurately describes dehydrogenation and cracking (R 2 > 0.95), identifying the first H 2 loss and surface reaction as their respective rate-determining steps, but fails for isomerization. An optimal hybrid LHHW/power-law model for dehydrogenation and side-reactions (R 2 = 0.97, MSE < 10 –5 ) is developed. CFD simulations using this kinetics reveal radial temperature gradients exceeding axial variations, intensifying at high wall temperatures. Cold spot position depends primarily on space velocity, while its temperature responds mainly to wall heating. This advances optimization strategies for catalytic reactors and thermal management.
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Nature Communications
·
2023
·Vol. 14
·期 1
·1-9
·
IF 16.6
Yan Zishuo,Liu Xiaoyan,Ding Bin,Yu Jianyong,Si Yang
Chemical warfare agents (CWAs) significantly threaten human peace and global security. Most personal protective equipment (PPE) deployed to prevent exposure to CWAs is generally devoid of self-detoxifying activity. Here we report the spatial rearrangement of metal-organic frameworks (MOFs) into superelastic lamellar-structured aerogels based on a ceramic network-assisted interfacial engineering protocol. The optimized aerogels exhibit efficient adsorption and decomposition performance against CWAs either in liquid or aerosol forms (half-life of 5.29 min, dynamic breakthrough extent of 400 L g −1 ) due to the preserved MOF structure, van-der-Waals barrier channels, minimized diffusion resistance (~41% reduction), and stability over a thousand compressions. The successful construction of the attractive materials offers fascinating perspectives on the development of field-deployable, real-time detoxifying, and structurally adaptable PPE that could be served as outdoor emergency life-saving devices against CWAs threats. This work also provides a guiding toolbox for incorporating other critical adsorbents into the accessible 3D matrix with enhanced gas transport properties.
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JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
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2023
·Vol. 332
·期 6
·1869-1881
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IF 1.6
Zhang Na,Yang Miao,Zhang Manman,Du Jifu,Bao Qiburi,Zhao Long,Dong Zhen
Amphiphilic double poly(imidazole ionic liquid) grafted silica (SMIL-n) was prepared by radiation grafting of hydrophilic 1-vinyl-3-ethylimidazolium bromide and hydrophobic 1-vinyl-3-octylimidazolium bromide at different ratio onto silica. The adsorption behavior of SMIL-n was investigated. The adsorption equilibrium could reach less than 45 min, and their adsorption capacity were 152–171 mg/g obtained from Langmuir model. The selectivity of SMIL-n to ReO 4 − increased with the increasing content of hydrophobic ionic liquid. SMIL-n displayed good reusability, excellent acid resistance and irradiation resistance. Particularly, SMIL-n showed promising for ReO 4 − uptake from simulated contaminated Beishan groundwater and radioactive wastewater.
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BIOCHEMICAL ENGINEERING JOURNAL
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2023
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IF 3.9
Zhi-tao Li,Yu-ying Wang,Hang-yan Ji,Yun Jiang,Min-jie Gao,Xiao-bei Zhan,Zhengyu Jin
Nowadays, research on the influence of food nutrition and medicine on the metabolism and diversity of the human gut microbiota is of considerable interest. In this study, a new in-vitro simulation colon reactor (SCR), an important tool for simulating the colon conditions of the human body, was designed to evaluate food function. The key parameters of crush evaluation, peristaltic patterns, anaerobic and parthenogenic aerobic bacterial growth, and fecal microbiota colonization were analyzed and compared with those of static reactor to evaluate colonization and the effectiveness of the new bioreactor . The results prove that SCR has a better ability to break up semisolids, and it could be used to simulate the digestion of semisolid foods. It could also successfully simulate two classical human gut peristaltic patterns, with the intestinal pressure reaching 60–90 (peristaltic frequency, six per min) and 100–150 mmHg (peristaltic frequency, 10 per min). SCR is suitable for fermentation colonization culture of Akkermansia muciniphila , Bifidobacteria , and fecal microbiota. The gut microbiota could be maintained in a healthy and stable growth state throughout the fermentation process. SCR could also increase the productivity of gut microbiota, and it has a good effect on fecal colonization. This study provides a novel and valuable tool for evaluating the structure and function of the gut microbiota.
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WATER RESEARCH
·
2023
·
IF 12.8
Shanqi Zhou,Mengru Fu,Siyuan Ling,Zhihua Qiao,Kailun Luo,Cheng Peng,Wei Zhang,Juying Lei,Bingsheng Zhou
The extensive utilization of both legacy and novel brominated flame retardants (BFRs) leads to high environmental concentrations, which would be bioaccumulated by organisms and further transferred through the food webs, causing potential risks to humans. In this study, five BFRs, that showed high detection frequencies and concentrations in sediments from an e-waste dismantling site in Southern China, namely 2,3,4,5,6-pentabromotoluene (PBT), hexabromobenzene (HBB), 1,2-bis(2,4,6-tribromophenoxy) ethane (BTBPE), decabromodiphenyl ethane (DBDPE), and decabromodiphenyl ether (BDE209), were selected as target pollutants in the lab-constructed aquatic food web as part of a micro-ecosystem, to investigate their distribution, bioaccumulation, and trophic transfer patterns. The significant correlations between different samples in the food web indicated that the dietary uptake appeared to influence the levels of BFRs in organisms. Significant negative correlations were observed between the trophic level of organisms and the lipid-normalized concentrations of BTBPE and DBDPE, indicating the occurrence of trophic dilution after 5-month exposure. However, the average values of bioaccumulation factors (BAFs) were from 2.49 to 5.17 L/kg, underscoring the importance of continued concern for environmental risks of BFRs. The organisms occupying higher trophic levels with greater bioaccumulation capacities may play a pivotal role in determining the trophic magnification potentials of BFRs. This research provides a helpful reference for studying the impacts of feeding habits on bioaccumulation and biomagnification, as well as for identifying the fate of BFRs in aquatic environment.
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SCIENCE OF THE TOTAL ENVIRONMENT
·
2023
·
IF 9.8
Juan Wu,Yugang Lai,Haofeng Zhu,Xindong Yang,Xintao Ye,Anping Zhang,Jianqiang Sun
The extensive application of phthalate esters (PAEs) as plasticizers has raised considerable concern regarding their environmental load, but the associated occurrence of PAE metabolites has often been ignored. The soil–plant system is a vital source of human exposure to PAEs via crop intake. Here, paired soil–plant samples were collected from eastern China to investigate the occurrence characteristics of seven PAE congeners and two primary monoester phthalate metabolites (mPAEs) in farmland. The detection frequencies of PAEs and mPAEs in the investigated soil–plant systems were 100 %. The total concentrations of PAEs in the collected soil and plant samples ranged from 0.07 to 1.83 mg/kg (dw) and from 3.9 to 24 mg/kg (dw), respectively. Moreover, di-(2-ethylhexyl) phthalate, diisobutyl phthalate and di-n-butyl phthalate were the predominant PAE congeners in the farmlands of eastern China, collectively accounting for >90 % of the total concentration of PAEs. In addition, the total concentrations of the two mPAEs were markedly higher in plant samples (49 ng/g dw to 549 ng/g dw) than in soil samples (3 ng/g dw to 22 ng/g dw), indicating that PAEs are readily metabolized in plants. The hazard index (HI) values of all PAEs in all crops were <1, demonstrating that the risks of PAEs in the crops were acceptable. However, the daily intake of mPAEs from the consumption of cabbage was higher than or comparable to that of some PAEs (such as di- n -octyl phthalate). This highlights the importance of taking metabolites into consideration in further environmental investigations and risk assessments of PAEs.
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CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Yingxin Wu,Jingyan Zhou,Zhuohao Wu,Quanyun Ye,Wencheng Wu,Xiaowen Liu,Dechun He,Guifang Lv,Jie Zhang
The dechlorination of polychlorinated biphenyl (PCB) has been studied intensively, while the comprehensive understanding of the electron transfer and selectivity pattern mechanism is still limited. Therefore, in this study, the reactivity of nickel/zero-valent iron (Ni/Fe) was investigated during the dechlorination of 2,2′,4,4′,5-pentachlorobiphenyl (PCB-99) at various temperatures. Gas chromatography-mass spectrometry analysis and quantum chemical calculations, including bond dissociation energy, C-Cl bond length, and the lowest unoccupied molecular orbital (LUMO), were used to explore the dechlorination pathways and the electron selectivity. Results showed that the reduction efficiency of PCB-99 (100 μg L −1 ) did not increase monotonically with the temperature, but followed the order: 25 °C (75.9%) > 15 °C (62.5%) > 35 °C (51.6%), due to the thermodynamic evolution of Fe species to generate more Fe(II) and the abundance of oxygen vacancies at 25 °C. However, as the temperature continued raising to 35 °C, Ni/Fe was oxidized heavily and aggregated into large particles, significantly reducing the electron density of Fe(II) and inhibiting the electron transfer. The main dechlorination pathway was PCB-99 → PCB-47 → PCB-17 → PCB-8 → PCB-3 → biphenyl, indicating that electrons tended to attack C-Cl bonds following the order meta- > para- > ortho- position, which could be better explained by LUMO. Overall, this work is expected to improve the understanding of the dechlorination behavior of PCB-99 from both fundamental and applied perspectives.
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CONSTRUCTION AND BUILDING MATERIALS
·
2023
·
IF 7.4
Youchao Chen,Junxian Huang,Yaseen Muhammad,Zhenxia Zhao,Shencheng Fan,Wenjie Luo,Jing Li
Based on the four-component separation technology of asphalt, the influence mechanism of carbon nanotubes (CNTs), graphene microsheets (GNPs) and graphene oxide (GO) in SBS-modified asphalt four-component was systematically analyzed by combining macroscopic properties and microscopic characteristics, as well as exploring the morphological distribution of SBS in asphalt four-component. According to the results of Fourier transform infrared spectroscopy and field emission scanning electron microscopy, the modification mechanism of asphalt by three types of carbon nanomaterials follows two pathways: chemical reaction and physical blending. The addition of CNTs, GNPs, and GO results in the destruction of long carbon chains of the saturated fraction in SBS-modified asphalt, and promotes the aggregation of SBS in the asphaltene, as well as its dense distribution and crosslinking in the oil fractions. The results of the fluorescence microscopy test and phase separation test showed that the dispersing effect of the three carbon nanomaterials could alleviate the aggregation phenomenon of SBS, improve the mutual integration between SBS and matrix asphalt, and promote the storage stability of SBS-modified asphalt. Therefore, based on the excellent mechanical properties of the three carbon nanomaterials and their promotion of filling and crosslinking of SBS in asphaltene, they have made significant contributions to the mechanical properties of carbon nanomaterials-composite SBS modified asphalt. This can also be demonstrated by DSR testing and conventional physical property testing. This study hopes to provide a viable analytical route for the use of nanomaterials in modulating the four-component structure and improving the properties of asphalt.
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NEW JOURNAL OF CHEMISTRY
·
2023
·Vol. 47
·期 18
·8809-8819
·
IF 3.3
Zhen Dong,Na Zhang,Manman Zhang,Miao Yang,Qiburi Bao,Long Zhao
Pertechnetate (TcO4−) poses long-term potential radioactive hazards to the ecological environment, so it is an urgent challenge to selectively separate TcO4− from radioactive wastewater. In this work, we firstly developed a series of binary ionic liquid functionalized silica (SiO2-g-PC2-CnvimBr) by simultaneous radiation grafting of the hydrophilic ionic liquid 1-vinyl-3-ethylimidazole bromide ([C2VIm]Br) and hydrophobic ionic liquid 1-vinyl-3-alkylimidazolium ([CnVIm]Br, n = 4, 6, 8, and 12) onto silica for the removal of ReO4− as an analogue of TcO4−; single ionic liquid functionalized silica (SiO2-g-PC2vimBr) was also synthesized for comparison. The effects of absorbed dose and RAFT agent content on grafting yield were investigated. The grafting yield (GY) increased with increasing absorbed dose and decreasing RAFT agent content. SiO2-g-PC2-CnvimBr showed excellent acid and irradiation resistance; the adsorption efficiency was still more than 90% after soaking in acid solution for 3 months or after being irradiated at 1000 kGy. SiO2-g-PC2-CnvimBr presented superior selectivity for ReO4− over SiO2-g-PC2vimBr. Furthermore, the continuous uptake of ReO4− using SiO2-g-PC2-CnvimBr with varying alkyl chain lengths of hydrophobic imidazolium was investigated and compared in the simulated radioactive wastewater. It was found that the relative column adsorption capacity and selectivity increased with increasing alkyl chain length of hydrophobic imidazolium. In addition, SiO2-g-PC2-C8vimBr displayed excellent reusability; the adsorption capacity did not change and the desorption efficiency could reach 97% in the flow-through column cycle experiment. On the basis of experimental results, SiO2-g-PC2-CnvimBr was deemed to be promising for continuous separation of TcO4−/ReO4− in the practical treatment of radioactive wastewater and TcO4− contaminated groundwater.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Xiuhai Gan,Wei Zhang,Shichao Lan,Deyu Hu
To further develop new antiviral agents, several novel cyclized derivatives of ferulic acid were designed and synthesized. Their antiviral activities were evaluated against the cucumber mosaic virus (CMV), pepper mild mottle virus (PMMoV), and tomato spotted wilt virus (TSWV). The results showed that some ferulic acid derivatives exhibited desirable antiviral activities. Particularly, compound 5e exhibited excellent protective activities against CMV, PMMoV, and TSWV, with EC50 values of 167.2, 102.5, and 145.8 μg mL–1, respectively, which were superior to those obtained for trans-ferulic acid (581.7, 611.2, and 615.4 μg mL–1), dufulin (312.6, 302.5, and 298.2 μg mL–1), and ningnanmycin (264.3, 282.5, and 276.5 μg mL–1). Thereafter, the protective mechanisms of 5e were evaluated through photosynthesis evaluation, transcriptome profiling, and proteomic analysis. The results indicated that 5e significantly activated the expression levels of photosynthesis-related regulatory genes and proteins in tobacco plants and promoted the accumulation of defense molecules to resist viral infection. Thus, the findings of this study indicated that novel cyclized ferulic acid derivatives are potential antiviral agents that act via regulating photosynthesis in the host.
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FOOD CHEMISTRY
·
2023
·
IF 8.8
Ge Bai,Chuan-Guo Ma,Yu-Yuan Hu,Shu-Jing Guo,Tong Wang
Phytosterols have health benefits; however, they are partially removed during the bleaching of corn oil. We evaluated the chemical conversion of free phytosterols (FPs) during bleaching. FP degradation accelerated with increased time and temperature, following a first-order kinetic model. In the n -heptane system, air and activated clay promoted the chemical conversion of the FPs. Sterenes formation was analysed under different conditions using a zero-order kinetic model. The apparent activation energies revealed sterene formation decreasing in the following order: campesta-3,5-diene ≈ stigmasta-3,5,22-triene > stigmasta-3,5-diene. Isomers of the above were not detected, indicating that these sterenes were the only primary products of FPs. The desorption test indicated that the FP loss from corn oil was not only due to FPs being adsorbed the activated clay, but also FPs adsorbed at acidic activated sites being degraded. This study presents a vital scientific foundation for retaining FPs to develop healthier and more nutritious oils.
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