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ENERGY & FUELS · 2024 · IF 5.2

Chitooligosaccharide Derivatives with Aromatic Ring Conjugated Intercalation Function Disperse Asphaltene to Reduce the Viscosity of Heavy Oil

Jie Yu,Hongping Quan,Jia Xiao,Jingran Wang,Lilong Zhang,Xueshuo Chang,Shuaibin Peng,Jinyu Wang,Zhiyu Huang

Based on dispersing the stacking structure of asphaltenes and inhibiting the reaggregation of asphaltenes, functional chitosan oligosaccharide (COS) derivatives were prepared using COS in this study. Driven by the conjugated intercalation of aromatic rings, COS derivatives could move among the lamellae of asphaltene stacked structures. The effect of COS derivatives on asphaltene aggregates for face-to-face stacking and the inner diameter of the aromatic sheet was characterized by X-ray diffraction and Raman. The microstructure of asphaltene in this mode of interaction could be observed by field emission scanning electron microscopy and high-resolution transmission electron microscopy. The effect of COS derivatives on the stacking structure and aggregation behavior of asphaltenes could enhance the fluidity of heavy oil, resulting in a change in the viscosity-temperature curve of heavy oil. This demonstrates the enormous research value of COS derivatives in the extraction and transportation of heavy oil.

CAS / MDL: 112-76-5
研究领域: 石油化学 · 材料科学 · 生物学
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FUEL PROCESSING TECHNOLOGY · 2021 · IF 7.033

A study on the structure of Naomaohu coal and its suitability for direct coal liquefaction

He Li,Shisheng Liang,Yucui Hou,Yupeng Wang,Shuhang Ren,Weize Wu

Direct coal liquefaction (DCL) is not only for fuel but also for chemicals, which shows high efficiencies in atom utilization and energy. The study on coal structure is important to select coal for direct liquefaction . Naomaohu coal is a kind of subbituminous coal and a typical coal for direct liquefaction . In this work, the structure of Naomaohu coal was investigated via alkali‑oxygen oxidation , ruthenium ion catalyzed oxidation and physical analyses and a representative structural model with a model size of 128,755 amu was constructed. The structural characteristics show that the ratio of single-, double-, triple-, and quadruple-aromatic rings is 149:164:102:63. The triple- and quadruple-rings aromatic structures are mainly connected by C C bonds of 2–4 carbon atoms. The single- or double-ring is connected on the triple- and quadruple-rings aromatic structures through ether or ester bonds , which can be broken easily under mild conditions. Long alkyl side chains with carbon atoms from 13 to 25 accounting for 0.91 wt%. The high H/C, high oxygen content (mainly weak bonds such as ether and ester bonds between aromatic clusters), abundant single-, double-, triple, and quadruple-aromatic rings, and alkyl bridge bonds of 2–4 carbon atoms are beneficial to the mild liquefaction of Naomaohu coal

CAS / MDL: 14898-67-0 7790-28-5
研究领域: 化学工程 · 能源科学
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FUEL PROCESSING TECHNOLOGY · 2019 · IF 4.507

Selective cleavage of CO bond in benzyl phenyl ether over Pd/AC at room temperature

Tao Xie,Jing-Pei Cao,Chen Zhu,Xiao-Yan Zhao,Ming Zhao,Yun-Peng Zhao,Xian-Yong Wei

Selectively cleaving the C O bonds in lignin to produce aromatic products are challenging problems. Currently, catalytic hydrogenolysis of C O bonds in lignin requires harsh conditions. Herein, selectively cleaving C O bond of benzyl phenyl ether (BPE) was studied over Pd/AC, Ru/AC and Ni/AC. Among these catalysts, Pd/AC efficiently cleaved C O bond in BPE under super mild conditions (25 °C, 2 h and 0.1 MPa H 2 ). The products were toluene and phenol without hydrogenation of the aromatic ring . The main competitive step of hydrogenolysis and hydrogenation is sensitive to reaction temperature over Pd catalyst. A mild temperature is preferred for hydrogenolysis, since the H species nearby the oxygen atom are more strongly adsorbed than nearby the benzene rings . With the different H-donor solvents, the highest conversion of BPE was obtained in isopropanol. Based on the experiments, the reactions occurred via cleavage of the C aliphatic -O bond in BPE and the synergetic effects between the H from absorbed H 2 on the surface of the Pd and the intermediates radicals of benzyl and phenoxy should be the key points to such an optimum result.

研究领域: 化学工程 · 催化科学
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JOURNAL OF MOLECULAR LIQUIDS · 2020 · IF 5.065

Inhibition behavior of synthesized ZIF-8 derivative for copper in sodium chloride solution

Jiaojiao Cao,Chengbin Guo,Xingpeng Guo,Zhenyu Chen

A zeolitic imidazole framework-8 (ZIF-8) derivative was synthesized and developed as the corrosion inhibitor of copper in 0.5 mol/L NaCl solution, and its inhibition performance was investigated by electrochemical measurement and surface analysis . Results show that the ZIF-8 derivative could effectively inhibit copper from corrosion, and the inhibition efficiency was 87.2% at an optimal ZIF-8 derivative concentration of 45 mg/L. The corrosion inhibition mechanism of the ZIF-8 derivative could be explained as follows: the amino functional groups and the π-system formed by aromatic rings of the ZIF-8 derivative were tightly adsorbed on the copper substrates, which systematically formed a hydrophobic film, thereby effectively inhibiting the corrosion caused by aggressive ions.

研究领域: 材料科学 · 电化学 · 表面分析
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FOOD CHEMISTRY · 2019 · IF 5.399

The interaction mechanism of oligopeptides containing aromatic rings with β-cyclodextrin and its derivatives

Jiaqi Li,Sheng Geng,Yu Wang,Yonghui Lv,Huabin Wang,Benguo Liu,Guizhao Liang

We investigate the formation mechanism of supramolecular complexes of four antioxidant oligopeptides (YW, WY, WYS, and WYSL) with β-cyclodextrin (β-CD), hydroxypropyl-β-cyclodextrin (HP-β-CD) and 6-O-α-maltosyl-β-cyclodextrin (M-β-CD) by combined computational and experimental methods. The formation of complexes is determined by UV, IR and DSC, and the rank-ordered acquired stability of the complexes is as follows: WYSL/HP-β-CD > WYS/HP-β-CD > WY/HP-β-CD > YW/M-β-CD > YW/HP-β-CD > YW/β-CD. The 1 H NMR analysis and molecular docking results reveal that the aromatic rings of these oligopeptides are embedded into the cavities of the studied β-CD and its derivatives, indicating that hydrophobic interaction is a major driving force for the formation of the complexes. We also demonstrate that H-bonds play a key role in maintaining the supramolecular complexes. In addition, the results of the antioxidant assay indicate that the radical scavenging capacity of the oligopeptides is enhanced by the CD-based inclusion.

CAS / MDL: 7789-20-0
研究领域: 生物化学 · 药物化学
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RSC Advances · 2016 ·Vol. 6 ·期 84 ·80964-80971 · IF 3.289

Synthesis, characterization and pH sensitivity of polyampholyte containing aromatic rings

Jingjing Yang,Shufen Zhang

This work describes the synthesis and pH sensitivity of polyampholytes containing aromatic rings which were prepared from a poly(acrylamide-co-vinylamine) oligomer and aryl sulfonate derivatives. The structures of the products were characterized by Fourier transform infrared spectroscopy, liquid chromatography-mass spectrometry and nuclear magnetic resonance spectroscopy analysis. The effects of degree of substitution, concentration of the polyampholyte solution, the amount of sulfonate groups in the aryl sulfonate derivatives, and the aromatic ring on the pH sensitivity of the polyampholytes were discussed in detail. The results exhibited that the pH sensitivity of these polyampholytes was mainly affected by the molar ratio of cationic to anionic groups in the polyampholytes which can be controlled by changing both the degree of substitution and the amount of sulfonate groups in the aryl sulfonate derivatives at the fixed degree of substitution.

CAS / MDL: 62-53-3 108-77-0 81-16-3
研究领域: 高分子化学 · 材料科学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2017 · IF 9.446

All-solid-state Z-scheme 3,4-dihydroxybenzaldehyde-functionalized Ga2O3/graphitic carbon nitride photocatalyst with aromatic rings as electron mediators for visible-light photocatalytic nitrogen fixation

Shihai Cao,Ning Zhou,Fenghua Gao,Huan Chen,Fang Jiang

An all-solid-state Z-scheme heterojunction-structured photocatalyst, 3,4-dihydroxybenzaldehyde-functionalized Ga 2 O 3 /graphitic carbon nitride (Ga 2 O 3 -DBD/g-C 3 N 4 ), was synthesized using a facile post-grafting strategy via Schiff base chemistry. It was proposed for the first time that aromatic rings served as electron mediators in the Z-scheme photocatalytic system. In addition, the aromatic rings were conducive to the formation of a well-developed combined interface between Ga 2 O 3 -DBD and g-C 3 N 4 , greatly improving the separation of electrons and holes. The Ga 2 O 3 -DBD/g-C 3 N 4 exhibited a wide absorption range, high charge-separation efficiency and high redox potential, thus enhancing its activity and stability for visible-light photocatalytic nitrogen fixation. The reaction mechanism was demonstrated to be that O 2 was first reduced to H 2 O 2 , which was further oxidized to OH; then, OH reacted with methanol to form CO 2 − , which facilitated the reduction of N 2 to NH 3 . This study demonstrates a simple and cost-effective approach to synthesize all-solid-state Z-scheme photocatalytic system using the aromatic rings, and this system exhibits great potential for practical applications of visible-light photocatalytic nitrogen fixation.

研究领域: 材料科学 · 环境科学 · 化学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2022 · IF 9.136

Efficient and selective capture of xenon over krypton by a window-cage metal–organic framework with parallel aromatic rings

Guodong Li,Guoxun Ji,Xia Wang,Wei Liu,Duo Zhang,Lanhua Chen,Linwei He,Suzhuocheng Liang,Xihai Li,Fuyin Ma,Shuao Wang

Efficient capture and separation of xenon (Xe) and krypton (Kr) from nuclear fuel reprocessing plants is of great significance for the control of discharge of gaseous radioisotopes into the environment. However, due to the similar size and chemically inert spherical properties of Xe/Kr, the discovery of an adsorbent with both high adsorption capacity and high selectivity remains a challenge. Here, we report a microporous MOF (Ni-MOF, [Ni 2 II Ni III (μ 3 -OH)(bdc) 3 (tpt)]·guest) featuring two different cavities with an appropriate triangular hole window size. One is composed of parallel aromatic rings with spacings of approximately 4.3 Å comparable to the kinetic diameter of Xe (4.047 Å), affording excellent binding affinity for Xe while the larger one with narrow pore window provides sufficient space for gas adsorption. The Ni-MOF material exhibits an exceptionally high Xe uptake of 5.43 mmol/g and Xe/Kr selectivity of 7.66 at 298 K and 1 bar. The adsorption capacity is the highest among all MOFs without open-metal-sites. Furthermore, the sorption selectivity of Xe over Kr within Ni-MOF originates from a special sandwiched π-Xe-π interaction revealed by Van der Waals interaction calculations.

CAS / MDL: 100-21-0
研究领域: 材料科学 · 环境科学
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CARBON · 2025 · IF 11.6

Decoding aromatic ring effects on crosslinking chemistry and closed-pore engineering in hard carbons for sodium-ion batteries

Yuting Liu,Heping Niu,Zhihong Wang,Jialin Liang,Liang Ren,Jisheng Zhou

Hard carbons (HCs) derived from pitch show promise as low-cost anodes for sodium-ion batteries (SIBs) due to their high carbon yield. However, pitch's complex polyaromatic structure makes its modification and HC microstructure control difficult. This study selects bicyclic naphthalene (Nap), tricyclic phenanthrene (Phe) and tetracyclic pyrene (Pyr) as model precursors to investigate how the aromatic ring number impacts HCs' cross-linking mechanisms, microstructure, and electrochemical performance. HCs based on Nap, Phe and Pyr are prepared via combined molecular and oxidative cross-linking. After molecular cross-linking, polycyclic aromatic resin's layer size and aromaticity grow with precursor ring number, R-Pyr having the largest aromatic layers and strongest π-π interactions. During oxidative cross-linking, these layers enhance –C(O)O group retention and 3D stacking, leading to closed pores with smaller size, larger volume, and thicker graphite microcrystals. Consequently, Pyr-based HCs (Pyr-HC) exhibit superior electrochemical performance, with a reversible capacity of 328.20 mAh g −1 at 0.1 A g −1 . In full-cell tests, the Pyr-HC || NVP reaches 184.8 mAh g −1 at 1 A g −1 and an energy density of 147.2 Wh kg −1 , retaining 74.78 % of its capacity after 200 cycles. This work highlights the importance of precursor structure for HC optimization and screening pitch precursors.

CAS / MDL: 129-00-0 85-01-8
研究领域: 材料科学 · 能源存储
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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2023 · IF 11.4

Aerobic Microbial Transformation of Fluorinated Liquid Crystal Monomer: New Pathways and Mechanism

Xifen Zhu,Yuanyuan Yu,Weikun Meng,Jiahui Huang,Guanyong Su,Yin Zhong,Xiaolong Yu,Jianteng Sun,Ling Jin,Ping’an Peng,Lizhong Zhu

Fluorinated liquid crystal monomers (FLCMs) have been suggested as emerging contaminants, raising global concern due to their frequent occurrence, potential toxic effects, and endurance capacity in the environment. However, the environmental fate of the FLCMs remains unknown. To fill this knowledge gap, we investigated the aerobic microbial transformation mechanisms of an important FLCM, 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-3, 5-difluoro-4′-propylbiphenyl (DTMDPB), using an enrichment culture termed as BG1. Our findings revealed that 67.5 ± 2.1% of the initially added DTMDPB was transformed in 10 days under optimal conditions. A total of 14 microbial transformation products obtained due to a series of reactions (e.g., reductive defluorination, ether bond cleavage, demethylation, oxidative hydroxylation and aromatic ring opening, sulfonation, glucuronidation, O-methylation, and thiolation) were identified. Consortium BG1 harbored essential genes that could transform DTMDPB, such as dehalogenation-related genes [e.g., glutathione S-transferase gene (GST), 2-haloacid dehalogenase gene (2-HAD), nrdB, nuoC, and nuoD]; hydroxylating-related genes hcaC, ubiH, and COQ7; aromatic ring opening-related genes ligB and catE; and methyltransferase genes ubiE and ubiG. Two DTMDPB-degrading strains were isolated, which are affiliated with the genus Sphingopyxis and Agromyces. This study provides a novel insight into the microbial transformation of FLCMs. The findings of this study have important implications for the development of bioremediation strategies aimed at addressing sites contaminated with FLCMs.

CAS / MDL: 75-09-2 110-54-3
研究领域: 环境科学 · 微生物学
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FOOD CHEMISTRY · 2022 · IF 9.231

A potent mechanism for revealing structurally manipulated sweetness inhibitory property of lactisole derivatives

Wenting Deng,Dan Zhou,Jiaxing Li,Jianxian Zheng,Zhongkai Zhou

Lactisole is a potent sweetness inhibitor for alleviating the over-sweet problem in food. For investigating the sweetness inhibition mechanism of lactisole, seven derivatives were synthesized and their structure was characterized by Fourier transform infrared spectroscopy, nuclear magnetic resonance and mass spectrometry for confirming the modification on aromatic ring and carboxylic acid. An evaluation method for sweetness inhibition was developed using the electronic tongue, and the results revealed that the introduction of hydrophobic groups onto aromatic ring of lactisole did not improve the inhibitory activity. A certain branching and length of carbon chain between the aromatic ring and the carboxylic group were presumably important for inhibitory function. The plausible interpretation is that the structured carbon chain may influence the spatial position of carboxylic group during the interaction between the inhibitors and the receptor. A potent mechanism for regulating sweetness inhibition of the compounds based on their corresponding structural characteristics is proposed.

研究领域: 食品科学 · 分子生物学
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Nature Communications · 2023 ·Vol. 14 ·期 1 ·1-12 · IF 16.6

Atomically precise gold nanoclusters at the molecular-to-metallic transition with intrinsic chirality from surface layers

Liu Li-Juan,Alkan Fahri,Zhuang Shengli,Liu Dongyi,Nawaz Tehseen,Guo Jun,Luo Xiaozhou,He Jian

The advances in determining the total structure of atomically precise metal nanoclusters have prompted extensive exploration into the origins of chirality in nanoscale systems. While chirality is generally transferrable from the surface layer to the metal–ligand interface and kernel, we present here an alternative type of gold nanoclusters (138 gold core atoms with 48 2,4-dimethylbenzenethiolate surface ligands) whose inner structures are not asymmetrically induced by chiral patterns of the outermost aromatic substituents. This phenomenon can be explained by the highly dynamic behaviors of aromatic rings in the thiolates assembled via π − π stacking and C − H···π interactions. In addition to being a thiolate-protected nanocluster with uncoordinated surface gold atoms, the reported Au 138 motif expands the size range of gold nanoclusters having both molecular and metallic properties. Our current work introduces an important class of nanoclusters with intrinsic chirality from surface layers rather than inner structures and will aid in elucidating the transition of gold nanoclusters from their molecular to metallic states.

CAS / MDL: 16961-25-4
研究领域: 纳米材料科学 · 物理化学 · 材料化学
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