SCIENCE OF THE TOTAL ENVIRONMENT
·
2023
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IF 9.8
Yeqing Li,Shasha Yu,Xingru Yang,Yijing Feng,Liming Dong,Yi Zhang,Lu Feng,Mahmoud Mazarji,Junting Pan
In the anaerobic digestion (AD) process, the effects of humic acid (HA) derived from different feedstocks on AD are influenced by the variations in their structural composition and oxygen-containing functional groups. Thus, clarifying the structural differences of HA obtained from different feedstocks is crucial for understanding their impact on AD. In this study, the structure of five humic acids (HAs) derived from liquid digestate, food waste, silage corn straw, lignite and commercial HA, and their effects on AD were investigated. The study found that HA from food waste had more carboxyl groups , while straw-derived HA had more phenolic hydroxyl groups. Both types of HA had higher aromaticity and humification degree and showed significant inhibition effect on AD. HA from food waste had an average methanogenic inhibition rate of 43.5 % with 1 g/L HA added. In addition, commercial HA and HA derived from lignite had similar functional group types and aromaticity, with an average methanogenic inhibition rate of about 20 %. The study revealed that HAs with more carboxyl groups exhibited greater effectiveness in inhibiting AD, thereby confirming the influence of HA structures derived from different feedstocks on AD. In conclusion, this study provides valuable insights into the mechanism of HA effect on AD and offers guidance for future research focused on enhancing AD efficiency.
研究领域:
环境科学
·
微生物学
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DOI
PubMed
高影响因子
Polymers
·
2019
·Vol. 11
·期 7
·1119
·
IF 3.164
Yu Ji,Qiang Yao,Yueying Zhao,Weihong Cao
To gain an insight of the chemistry in the alkali-promoted aromatization of oxygen-containing heavily aromatic polymers or biomass; thermal degradations of sodium phenolates with different substituents have been investigated. The -ONa group strongly destabilizes the phenolates. The thermal stability of phenolates is largely in parallel with bond strengths of Ar substituents. De-substituents and the removal of aromatic hydrogens are dominant reactions in the main degradation step. CO is formed only at a very late stage. This degradation pattern is completely different from that of phenol. To account for this distinctive decomposition; a mechanism involving an unprecedented formation of an aromatic carbon radical anion generated from the homolytic cleavage of Ar substituent (or Ar–H) in keto forms has been proposed. The homolytic cleavage of Ar substituent (or Ar–H) is facilitated by the strong electron-donating ability of the oxygen anion. A set of free-radical reactions involved in the alkali-catalyzed aromatization have been established.Keywords:phenolate;thermal degradation;radical anion;aromaticity;aromatization
研究领域:
化学
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催化反应
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DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
·
2025
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IF 8.2
Ganlin Liu,Xiangyu Zhang,Bohan Wang,Xinyu Wang,Haichao Liu,Cheng Zhou,Bing Yang,Liang Yao,Yuguang Ma
Polythiophene and its derivatives have emerged as promising candidates for next-generation electronic applications due to their tunable conductivity and ease of synthesis via electropolymerization. Although fused-ring thiophene monomers have attracted considerable interest for the fabrication of polythiophene films with enhanced electronic properties, systematic investigations comparing their conductivities and elucidating the structural influence of fused-ring motifs remain limited. In this study, we explore the electropolymerization behavior of various fused-ring thiophene monomers and systematically evaluate their conductivities through in situ electrochemical conductance measurements. Complemented by theoretical calculations of monomer aromaticity using nucleus-independent chemical shift (NICS) and multicenter bond index (MCBI) analyses, our findings reveal that the inhomogeneous aromaticity of fused thiophene rings plays a pivotal role in determining the conductivity of the resulting polythiophene films.
研究领域:
材料科学
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有机化学
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物理化学
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DOI
PubMed
高影响因子
FUEL PROCESSING TECHNOLOGY
·
2018
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IF 3.956
Jiajin Liang,Jiao Chen,Shubin Wu,Chao Liu,Ming Lei
Comprehension in hemicellulose pyrolysis is critical to generate renewable fuel and valuable chemical. Herein, a self-designed tubular reactor was applied to observe the appearance alteration and chemical structure evolution during the whole xylan pyrolysis process. Before 200 °C, it was free moisture removal stage without significant chemical structure alteration. Xylan began to depolymerize at 200 °C corresponding with the appearance change from its original state to dark brown, cleavage of branched-chain and primary product acids & ketones generation. The main chain of xylan was completely broken at 250–350 °C via β‑1,4‑glycosidic bond cleavage, dehydration, decarboxylation , and decarbonylation reaction. Acids were mainly originated from hemicellulose pyrolysis. The typical signals from FTIR, 13 C CP/MAS NMR were disappeared at 350 °C. In the carbonation stage, the C/H and C/O ratio reached 2.01 and 4.54, leading to the aromaticity enhancement of char and formation of carbon-centered radicals.
研究领域:
生物能源
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化学工程
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DOI
高影响因子
FUEL
·
2019
·
IF 5.128
Feifei Li,Xiaodong Wang,Hui Pan,Qiuye Li,Jianjun Yang
In this paper, disk-like α -Fe 2 O 3 nanoparticles were synthesized by one-step via an n-octyl alcohol-mediated self-assembly process and were subsequently used as the catalyst for the updating of heavy crude oil. The characterization results show that the diameter of the as-prepared α -Fe 2 O 3 disks is in the range of 150–200 nm and the nanoparticles have a hematite structure with [1 1 0] preferred orientation. The catalyst strongly acts on the asphaltene and causes its lower S content and N content, lower aromaticity and aromatic condensation, and higher branchiness index. Adding tetralin causes the increment of aromatics content, the decrease of resin, and more molecules containing aromatic moieties bearing 2 and 3 rings. The viscosity of the Shengli extra heavy oil reduced substantially from 161180 mPa∙s to 45882 mPa∙s (50 °C) through the combination of the α -Fe 2 O 3 nanoparticles and tetralin (a hydrogen donor).
研究领域:
材料科学
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催化化学
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石油工程
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DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
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2025
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IF 19
Wendi Xie,Junwen Deng,Yalu Cai,Yanle Wang,Shuning He,Yunhao Bai,Jinsheng Xiao,Xuanshu Zhong,Junyao Jiang,Huiliang Wang
Organic room-temperature phosphorescent (RTP) hydrogels, especially those based on nontraditional luminogens, hold great potential for various applications. However, developing nonaromatic hydrogels with excellent mechanical properties and multifunctionality alongside long lifetimes remains challenging. Herein, a series of nonaromatic hydrogels with RTP are prepared by utilizing the hydrophobic interactions and coordinate bonding based on partially hydrolyzed polyacrylonitrile (PHPAN). The initial hydrogel exhibits strong fluorescence yet weak and short-lifetime RTP. When the hydrogel is treated by immersing in Zn 2+ solution and a heating–cooling process, the obtained hydrogel exhibits significant RTP with a lifetime of 178.5 ms, excellent mechanical properties with an elastic modulus of 161.6 MPa, and a tensile strength of 10.9 MPa, as well as thermally stimulated shape memory behavior and anti-swelling property. The weak RTP emission of the initial hydrogel originates from the hydrophobic aggregation of cyano groups, and the dramatically improved RTP and mechanical properties arise from the formation and optimizing of Zn 2+ -carboxylate coordinate bonds during the immersing and heating–cooling processes and the enhanced hydrophobic interactions of cyano groups, which stiffens the hydrogel network and suppresses nonradiative decay. This work provides a reliable strategy for the development of mechanically strong multifunctional nonaromatic RTP hydrogels.
研究领域:
材料科学
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化学
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DOI
高影响因子
ENVIRONMENTAL ENGINEERING SCIENCE
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2015
·Vol. 32
·期 8
·703-712
·
IF 0.991
Ni Liang,Di Zhang,Chaoxian Wei,Hao Li,Saikat Ghosh,Yanbei Cao,Binglin Guo
Organo-mineral complexes are important components of soil and can greatly affect the behavior and fate of organic contaminants. Properties of organic components play important roles in organic coating on mineral surfaces. However, the dominant property and mechanism controlling organic contaminant behavior are still unclear. In this study, adsorption of various organic contaminants on humic acid-nano-Fe2O3 complexes with different properties were investigated. Nonpolar, aromatic, and high-molecular-weight fractions of humic acid (HA) were preferentially adsorbed on nano-Fe2O3, forming various HA-nano-Fe2O3 complexes with different properties. According to a correlation analysis between the adsorption of organic contaminants and properties of HA-nano-Fe2O3 complexes, the organic carbon content, aromaticity, and hydrophobicity, were believed to be the dominant properties controlling the organic contaminant adsorption. Organic carbon contents and π-π bonds might contribute to sulfamethoxazole (SMX) adsorption more than to bisphenol A (BPA) and phenanthrene (PHE) adsorption because the amino functional groups and N-heteroaromatic rings of SMX were strong π-acceptors. In comparison, hydrophobic interactions might contribute to BPA and PHE adsorption more than to SMX adsorption due to the higher hydrophobicity of BPA and PHE. The H-bond was not the dominant mechanism responsible for PHE and BPA adsorption, while it could not be ignored for SMX adsorption.
研究领域:
环境科学
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土壤学
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DOI
高影响因子
WATER RESEARCH
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2022
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IF 13.4
Junjie Yu,Hui Xu,Dongsheng Wang,Hongyan Sun,Ruyuan Jiao,Yang Liu,Zhiyuan Jin,Shuo Zhang
Most studies on the interaction between coagulation and NOM (natural organic matter) currently focus on pollutant removal and coagulant species distribution, while studies on floc aging are lacking. Investigation onto the effects of floc aging could guide further processes that utilize flocs, such as densadeg sludge recirculation, floc predeposition for ultrafiltration, sludge condensation, and other traditional sludge reflux processes. In this study, flocs generated by Al 13 and AlCl 3 in microparticle- and nanoparticle-containing water were investigated, and the effect of floc aging on NOM was quantified based on several organic matter characterization techniques. Flocs absorb and release organics during aging. The flocs generated from micro-SiO 2 have a significant absorbing effect for LWM-N (low-molecular-weight neutral substances) and protein-like substances, while the absorption of NOM by flocs generated from nano-SiO 2 is insignificant. HS (humic substances) with high aromaticity are released during floc aging. From the molecular perspective, the molecules released during floc aging are those with higher double bond equivalents and higher aromaticity, while the absorbed molecules are those with lower double bond equivalents and lower aromaticity. 2D-COS (two-dimensional correlation spectroscopy) demonstrated that the flocs generated by Al 13 and AlCl 3 had the same organic release patterns but different intensities, while the flocs generated in the micro-SiO 2 and nano-SiO 2 systems had different organics release patterns. Abundant aluminum hydrolysates with low polymerization and amorphous Al(OH) 3 would be produced from AlCl 3 during the coagulation process and then undergo hydroxyl‑bridging reaction and crystallization during floc aging, thus releasing more HS with high aromaticity into the supernatant; in comparison, prehydrolyzed Al 13 produces a more stable floc and releases less HS during aging. The flocs produced by nano-SiO 2 and Al-based coagulants release higher aromaticity HS into the water than those produced by micro-SiO 2 , which may be related to the formation of more highly polymerized degree hydrolysates and nanocrystalline Al(OH) 3 in the nano-SiO 2 system. The flocs generated in water with micro-SiO 2 may contain a large amount of Al-OH and have a loose structure, thus further absorbing NOM, such as protein-like substances and LWM-N. In contrast, the flocs generated from nano-SiO 2 possess abundant adsorbed water and a denser structure; thus, organic matter cannot be absorbed stably.
研究领域:
环境科学
·
水处理工程
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DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
·
2022
·
IF 10.383
Zirui Lin,Lu Lin,Jiaqi Zhu,Wanlong Wu,Xianpeng Yang,Xiaoqi Sun
Covalent organic frameworks (COFs) are promising cathode candidates with high structural stability. However, they contain redox inactive linkages and experience low redox potential. Herein, a full anti-aromatic microporous COF cathode material of TAQ-BQ is designed for aqueous zinc batteries. The anti-aromatic conjugation effectively lowers the energy level of the lowest unoccupied molecular orbital as revealed by theoretical calculations, which corresponds to an elevated redox potential. Besides, the structure contains imino active sites at the linkages, in addition to carbonyl at the active parts. As a result, the TAQ-BQ cathode exhibits a voltage of 1.53 V/1.54 V and between 1.35 and 0.45 V in zinc cells. It delivers 208 mAh g–1 capacity at 0.1 A g–1 and maintains 136 mAh g–1 at 2 A g–1. Stable cycling is realized for 1000 cycles with 87% capacity retention. The co-de/insertion of Zn2+ and protons is identified for energy storage. Our work reveals the promises of COF cathode materials for aqueous zinc batteries.
研究领域:
材料科学
·
电化学
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DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2012
·
IF 4.531
Juanjuan Feng,Min Sun,Jubai Li,Xia Liu,Shengxiang Jiang
Physical and chemical properties of ionic liquids (ILs) are significantly affected by types of their cations and anions. In this paper, a novel aromatically functional 1-vinyl-3-octylimidazolium 2-naphthalene-sulfonate salt was synthesized through metathesis reaction between 1-vinyl-3-octylimidazolium bromide and sodium 2-naphthalene-sulfonate, and polymerized onto the stainless steel wire in situ via surface radical chain-transfer reaction. Octanol/water distribution coefficient of the ionic liquid was studied and compared with that of 1-vinyl-3-octylimidazolium hexafluorophosphate. Partition coefficients of polycyclic aromatic hydrocarbons (PAHs) on these two polymeric ionic liquids-coated fibers indicated the enhanced hydrophobicity and aromaticity of the target IL. Analytical parameters exhibited high extraction efficiency of the novel fiber. Calibration ranges for several PAHs were from 0.02 to 200 μg L −1 . Limits of detection (LODs) were ranged from 0.005 to 0.01 μg L −1 . Application reliability of the proposed fiber was also investigated with some phthalate ester plasticizers. LODs were ranged from 0.02 to 0.05 μg L −1 . Hair spray and nail polish were used as real samples, and di-n-butyl phthalate and di-(2-ethyl-hexyl) phthalate were quantified with the established method.
研究领域:
分析化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
FUEL
·
2025
·
IF 7.5
Hei Xiao,Huicong Zhang,Fashe Li,Hua Wang
Adsorption desulfurization is extensively applied in fuel desulfurization, but variations in fuel composition can notably affect the performance of adsorbents, complicating the selection of optimal adsorption conditions. In this study, quantum chemistry and molecular dynamics methods were employed, with dibenzothiophene (DBT), a typical sulfide, serving as the target molecule. Seven alkanes, one aromatic hydrocarbon, eight saturated fatty acid methyl esters (FAMEs), and three unsaturated FAMEs were selected based on the main components of biodiesel and 0# diesel. Experimental data were combined with theoretical calculations to thoroughly investigate the influence of fuel composition on DBT removal. The results indicate that among the three key factors—carbon chain length, ester group structure, and unsaturation—the ester group structure has the most significant impact on DBT removal. Notable differences were observed in the DBT adsorption capacities of FAMEs (27.57 mg/g–33.66 mg/g) and alkanes (51.01 mg/g–59.66 mg/g), with the ester group enhancing the electrostatic interactions between the fuel and DBT. The larger carbon chain length restricts the movement of DBT, slightly reducing its removal efficiency in fuel. The DBT adsorption capacity of the adsorbent in methyl palmitoleate (28.93 mg/g) was higher than in methyl palmitate (27.57 mg/g), with a 4.70 % increase, suggesting that unsaturation in FAMEs may enhance DBT removal efficiency. Furthermore, the aromatic structures of both DBT and aromatic hydrocarbons lead to strong competitive adsorption, significantly reducing DBT adsorption capacity in toluene (5.89 mg/g) compared to alkanes and FAMEs. This study provides a theoretical foundation for the practical application of adsorbents in desulfurization processes across various fuel types.
研究领域:
化学工程
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环境科学
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能源科学
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DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2024
·
IF 12.2
Huifang Xie,Qiaoqiao Li,Minli Wang,Yanfang Feng,Bingyu Wang
Hydrothermal carbonization process water (HTPW) has been utilized as a substitute for chemical fertilizers in agricultural applications. However, the input of HTPW into paddy water, particularly the significant proportion of dissolved organic matter (DOM) in HTPW (DOM-HTPW), directly engages in photochemical transformations, a phenomenon often overlooked. This study observed a consistent decrease in humification (SUVA 280 , 7.7–53.9%) and aromaticity (SUVA 254 , 6.1–40.0%) of DOM-HTPW after irradiation. The primary active photobleaching components of DOM-HTPW varied depending on the feedstock, such as protein for chicken manure DOM-HTPW and lignin for rice straw DOM-HTPW. The photochemical activity of DOM-HTPW was augmented by its lower molecular weight and higher hydrophilic composition, particularly evident in chicken manure DOM-HTPW, which exhibited higher generation rates for 1 O 2 (35.1–37.1%), 3 DOM* (32.8–43.9%), and O 2 •− (28.6–48.8%) as measured by molecular probes. DOM-HTPW effectively facilitated the phototransformation of tetracycline, with the contribution of O 2 •− being more significant than 3 DOM* and 1 O 2 . These findings shed new light on the understanding the photochemical processes of DOM-HTPW as exogenous DOM and the interconnected fate of contaminants in aquatic environments.
研究领域:
环境科学
·
光化学
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农业化学
·
水处理
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）