Journal of Environmental Sciences
·
2024
·
IF 5.9
Weixu Tang,Jianjian Wei,Shuting Wang,Qiang Cheng,Aroob Abid,Jia Gu,Min Zheng,Dehua Ma
This study aims to identify the highly non-specific toxicity by-products during ozonation of three cresols in wastewater. In ozonated effluents, biotoxicity increased along with increasing reaction time, followed by gradual decrease. The peak biotoxicity for ozonated o -cresol ( o -C), m -cresol ( m -C), and p -cresol ( p -C) was estimated to be 17.4, 14.8 and 5.5 times higher than that of untreated wastewater, respectively. A redox-directed approach with high-resolution mass spectrometry and toxicity prediction revealed that monomeric para-benzoquinones ( p -BQs), hydroxylated p -BQs, and dimeric p -BQs in ozonated cresols were the primary contributors to the increased toxicity. Calculations based on density functional theory indicated formation pathways of p -BQs byproducts, e.g., the formation of 2-methyl- p -benzoquinone was likely induced by ozone molecules rather than hydroxyl radicals in ozonated o -C and m -C, and the formation of p -benzoquinone during ozonation of p -C was attributed to the oxidation of methyl group to carboxyl group and subsequent decarboxylation initiated by hydroxyl radicals. Electron paramagnetic resonance and spin density calculation showed that the presence of carbon-centered cresoxyl radicals was responsible for dimeric p -BQs formation. Collectively, these results underscore significant contribution of non-halogenated p -BQs to non-specific toxicity increase in ozonated effluents.
研究领域:
环境科学
·
毒理学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2018
·
IF 2.631
Jun Wang,Deyan Wang,Chunxiang Huang,Xueni Sun,Xiaoyong Yue,Hui Shao,Yixin Leng
Isobaric vapour–liquid equilibrium (VLE) data for two binary systems of p-Cresol (PC) + diethanolamine (DEA) and m-Cresol (MC) + DEA were measured at 20.0 kPa. The Herington area method was used to check the binary VLE data, and the results showed good thermodynamic consistency. Meanwhile, the Wilson, NRTL, UNIQUAC models and the chemistry theory proposed by Dolezalek were used to correlate the VLE data. The binary energy interaction parameters for activity models, and reaction equilibrium constants for chemistry theory were obtained. With help of the parameters obtained in this work, the NRTL model was used to predict the VLE data of the two binary systems at the pressure of 8.33 kPa. The predictive results were compared with the literature’s data. At same time, the excess Gibbs free energy for the two binary systems, and infinite dilution activity coefficients for MC and PC in DEA were estimated. The calculated results showed that the DEA had slightly stronger interaction with PC than MC.
研究领域:
化学工程
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热力学
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DOI
高影响因子
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
·
2021
·Vol. 105
·期 16
·6333-6343
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IF 4.813
Wang Wei,An Chunyan,Yao Yongpeng,Meng Xiangxi,Gao Shu-Shan
The industrially important meta -cresol ( m -cresol, 3-methylphenol) is mainly produced from fossil resources by chemical methods. The microbial production of m -cresol was rarely investigated. Herein, we constructed a platform for the overproduction of m -cresol in a modified fungus Aspergillus nidulans FGSC no. A1145 ∆ST∆EM , which gave a gram-level titer using starch as carbon resource. For the biosynthesis of m -cresol, the 6-methyl salicylic acid synthase (MSAS)-encoding gene patK and 6-methyl salicylic acid decarboxylase-encoding gene patG from A. clavatus were co-expressed in the host A. nidulans . Multiple strategies, including promotor engineering, gene multiplication, and fed-batch fermentation, were applied to raise the production of m -cresol, which resulted in the titers of 1.29 g/L in shaking flasks and 2.03 g/L in fed-batch culture. The chassis cell A. nidulans A1145 ∆ST∆EM was proved to possess better tolerance to m -cresol than yeast, as it could grow in the liquid medium containing up to 2.5 g/L of m -cresol. These results showed that A. nidulans has great potential to be further engineered for industrial production of m -cresol.
Key points
• m-Cresol was de novo biosynthesized by a fungal chassis cell Aspergillus nidulans.
• Promoter engineering and gene multiplication implemented the fine-tuned genes expression.
• The titer of m-cresol reached 2.03 g/L via fed-batch culture.
Graphical abstract
研究领域:
生物技术
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微生物工程
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代谢工程
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产品关联
DOI
PubMed
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2020
·
IF 6.551
Luxi Zou,Yan Wang,Chou Huang,Bingbing Li,Jinze Lyu,Shuo Wang,Hui Lu,Ji Li
The kinetic and pathway of meta-cresol (m-cresol) degradation were studied by persulfate oxidation through UV/ozone activation (UV/O 3 –Na 2 S 2 O 8 ) to improve m-cresol removal to eliminate ecological risks. Experimental results showed that the degradation effect of m-cresol with an initial concentration of 50 mg/L was 99.8% in 30 min under the optimization conditions. The reaction kinetic model in the UV/O 3 –Na 2 S 2 O 8 system shows that the initial pH value, the respective ozone, and the persulfate dosage were positively correlated with the degradation rate constant value ( k ). The apparent degradation rate of m-cresol in the UV/O 3 –Na 2 S 2 O 8 system was 0.2216 min −1 , and the synergy factor ( f ) was larger than 1, thereby demonstrating a synergistic effect of UV, ozone, and persulfate. The dominant free radicals in the system were sulfate radical (SO- 4·) and hydroxyl radical (·OH), and the contribution ratio of SO- 4· to m-cresol degradation was higher than ·OH. The degradation process of m-cresol by UV/O 3 − Na 2 S 2 O 8 was mainly through the electrophilic addition reaction to substitute the ortho- and para-positions of the hydroxyl group on the benzene ring, followed by the ring-opening reaction and mineralization of the aliphatic compound to achieve the complete degradation of m-cresol.
研究领域:
环境科学
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化学工程
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DOI
高影响因子
Catalysts
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2022
·Vol. 12
·期 9
·955
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IF 4.501
Beilei Cui,Hua Wang,Qingfeng Ge,Xinli Zhu
A series of rutile TiO2-supported Ni catalysts with varying Ni sizes were prepared and reduced at 650 °C to explore the effect of Ni size on the strong metal–support interactions (SMSI) and its consequences on the hydrodeoxygenation (HDO) of m-cresol at 350 °C and atmospheric pressure. When the Ni size increases from 4 to 29.1 nm, the SMSI becomes stronger, e.g., the thickness of the TiOxoverlayer and the coverage extent of TiOxon the Ni particle surface increase. Direct deoxygenation to toluene is the dominant pathway on Ni/TiO2catalysts with varying Ni loadings, with almost no CH4being formed. These results indicate that the TiOxoverlayer significantly alters the property of Ni. That is, the C-C hydrogenolysis activity on bare Ni is completely inhibited due to SMSI, while the deoxygenation activity is improved at the Ni-TiOxinterfacial perimeter sites. Meanwhile, the turnover frequency of HDO on small Ni particles of 4 nm is > 2 times higher than that on large Ni particles of 29.1 nm, indicating that the small Ni particle with moderate SMSI appears to be optimal for the direct deoxygenation of m-cresol to toluene. The results suggest HDO activity may be enhanced by tuning the metal particle size and SMSI degree.Keywords:Ni/TiO2;rutile;strong metal-support interactions;m-cresol;hydrodeoxygenation
研究领域:
催化
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化学工程
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材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Jun Wang,Jie Ou,Xueni Sun,Xiangjun Tong,Ben Gao,Chunxiang Huang,Hui Shao,Yixin Leng
Measurements of isobaric vapor–liquid equilibrium (VLE) results for binary systems of m-cresol (MC) + diisopropanolamine (DIPA) and 2,6-dimethylphenol (DMP) + DIPA and the ternary system of MC + DMP + DIPA were conducted at the pressure of 20.0 kPa. The binary VLE experimental data showed that DIPA had stronger interaction with MC than DMP. The ternary system experimental VLE data showed that DIPA could improve the relative volatility of DMP to MC. The binary experimental data were checked by using Herington area and point test methods, and the checked results were thermodynamically consistent. Meanwhile, the VLE data were correlated by Wilson, nonrandom two-liquid, and universal quasichemical models, and the binary energy interaction parameters for these models were obtained. These activity coefficient models were used to predict the ternary system VLE data. The predictive results suggested that the Wilson model had the best prediction.
研究领域:
化学工程
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物理化学
✓ 已验证
DOI
高影响因子
Asia-Pacific Journal of Chemical Engineering
·
2025
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IF 1.6
Shuai Yan,Xin Pu,Zhiyong Qi,Xiaoran Zhang,Xiaoyu Zhou,Xin Han,Lei Ye,Xinglong Qin,Jichang Liu
m -Cresol and p -cresol cannot be effectively separated using conventional distillation because of their proximate boiling temperatures. This study investigated the adsorption separation of cresol using the short b -axis ZSM-5 synthesized via a urea-assisted method. In contrast to the ellipsoidal HZSM-5, which was approximately 1 μm in length, the thickness of the sheet-like HZSM-5 decreased to 36 nm, resulting in an increase in total cresol adsorption capacity from 76 to 122 mg/g. Applying the CLD method, an increase in the TEOS:HZSM-5 ratio from 0 to 0.83 resulted in the increase in p -cresol adsorption capacity from 69 to 106 mg/g, while m -cresol adsorption capacity dropped from 53 to 12 mg/g. The adsorption selectivity significantly rose from 1.3 to 9.7. The adsorption kinetics and isotherms demonstrated that the process was exothermic for p -cresol and endothermic for m -cresol.
研究领域:
材料化学
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物理化学
·
分离科学
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催化化学
·
纳米材料
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产品关联
DOI
高影响因子
Environmental Science-Water Research & Technology
·
2025
·
IF 3.1
Luyu Guo,Jing Zhang,Yahan Cao,Jiayu Zhang,Zhengyang Li,Xiaofei Chen,Lei Ma,Xiaowei Liu
The effective removal of toxic pollutants like m-cresol from wastewater remains challenging despite technological advancements. This study optimized total organic carbon (TOC) removal from m-cresol-contaminated wastewater using sodium percarbonate (SPC) oxidation through artificial neural network (ANN) and response surface methodology (RSM) modeling. TOC was selected as the optimization target due to its comprehensive representation of organic pollution levels. Six operational parameters were evaluated: initial pH, reaction time, SPC dosage, temperature, catalyst dosage, and initial m-cresol concentration. The ANN model demonstrated superior performance over RSM, achieving near-perfect R 2 values with significant improvement in predictive accuracy. Under optimal ANN-derived conditions (pH 2.3, 35.7 min, 2.9 g/L SPC, 45.7°C, 12.9 g/L catalyst, 75 mg/L m-cresol), maximum experimental TOC removal reached 67.8%, significantly exceeding RSM's 38.2%. These findings demonstrate ANN's superior capability to model complex, nonlinear relationships in advanced oxidation processes, providing a robust optimization framework for enhancing wastewater treatment efficiency.
研究领域:
环境工程
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水污染控制
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化学工程
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环境催化
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人工智能应用
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产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2024
·
IF 5.6
Mengru Li,Hui Wang,Jing Wang,Xiaoyu Zhang,Xin Yao,Jieyao Yu,Marina Rigling,Yanyan Zhang,Xiaochun Wan,Xiaoting Zhai
Lapsang Souchong black tea enjoys a good reputation in China for its unique smoky flavor. A total of 61 odorants in smoked Lapsang Souchong (SLS) and 49 odorants in the reference sample (non-smoked Lapsang Souchong, NSLS) were identified, respectively. The odorants of tea origin decreased significantly after the smoking process, while the pyrolysis products of pine wood increased markedly. Phenols (66.6%) were the most abundant odorants in SLS, among them, 18 phenols were newly found compared to NSLS. Aroma recombinates of SLS and NSLS proved the successful identification and quantitation of their respective key aroma compounds. The omission and addition tests clearly corroborated 3-ethylphenol, p -cresol, m -cresol, and 2-methoxy-4-methylphenol were the crucial factor for the strong smoky pine aroma characteristics of SLS tea. The findings offer a new insight into the flavor role of phenols to SLS tea, which will help to deeply explore the effect of smoking process on aroma changes during tea production.
研究领域:
食品科学
·
农业化学
·
茶学
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DOI
高影响因子
JOURNAL OF CATALYSIS
·
2022
·
IF 8.047
Beilei Cui,Hua Wang,Jinyu Han,Qingfeng Ge,Xinli Zhu
The relatively cheap and abundant Ni as a catalyst for hydrodeoxygenation (HDO) of biomass lignin-derived phenolics at 350 °C and atmospheric pressure suffers from unfavorable C-C hydrogenolysis toward CH 4 with a lower direct deoxygenation (DDO) activity. Herein, we demonstrate that the activity and selectively of Ni for HDO of m-cresol can be modified through the differences of strong metal-support interaction (SMSI) on anatase and rutile TiO 2 . Characterizations showed that the presence of SMSI depended strongly on the crystal phase of TiO 2 . The SMSI dominates on Ni/a-TiO 2 after reduction at 350 °C, resulting in Ni particles partially covered by a TiO x overlayer, and this overlayer became sufficiently thick at 650 °C, causing a significant reduction of CO chemisorption. Although the catalyst became selective for DDO to toluene, the overall HDO activity was significantly reduced because of excessive SMSI. In contrast, the Ni/r-TiO 2 catalyst reduced at 350 °C exhibited little SMSI and was active for C-C hydrogenolysis like a bare Ni catalyst. Increasing reduction temperature to 650 °C, the Ni/r-TiO 2 catalyst showed moderate SMSI and became selective to toluene through DDO while completely inhibited CH 4 formation. The toluene and total aromatics yields were 84.8 and 92.2%, respectively, at full conversion. More importantly, the turnover frequency for DDO (2.43 min −1 ) on the Ni/r-TiO 2 catalyst reduced at 650 °C was ∼40 and ∼14 times higher than that of Ni on rutile and anatase, respectively, reduced at 350 °C. This study provides an example of “Goldilocks principle” in catalysis, i.e., the best performing catalyst offers a balanced SMSI!
研究领域:
催化
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化学工程
·
材料科学
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产品关联
DOI
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2023
·
IF 9.8
Belay Tafa Oba,Xuehao Zheng,Moses Akintayo Aborisade,Akash Kumar,Ashenafi Yohannes Battamo,Jiashu Liu,Azhar Ali Laghari,Peizhe Sun,Yongkui Yang,Lin Zhao
Soil pollution caused by complex organochloride mixtures has been increasing in many parts of the world in recent years; as a result, countless numbers of people are exposed to dangerous pollutions; hence, the treatment of organochlorides-polluted soils is gaining considerable attention. In this study, the potential of unactivated peroxymonosulfate (KHSO 5 ) in remediating soil co-contaminated with trichlorophenol, para-dichlorobenzene, and para-chloro-meta-cresol was investigated. In addition, the treatment's collateral effect on critical soil properties was explored. The result revealed that treating 10 g of soil with 20 mL of 5 mM KHSO 5 for 60 min could oxidize 70.49% of the total pollutants. The pH of the soil was decreased following the treatment. The significant decrease, ( p < 0.05), in the soil organic matter following the remediation has affected cation exchange capacity, and available nitrogen. It was also observed that the treatment reduced the β-glucosidase, urease, invertase, and cellulase activities significantly, ( p < 0.05). The treatment, on the other hand, brought negligible effects on available phosphorus, available potassium, and particle size distribution . The phytotoxicity tests, which included seed germination and root elongation and soil respiration tests revealed that the treatment did not leach toxins into the treated soil. The treatment method was found to be relatively ecofriendly and cost effective.
研究领域:
环境科学
·
土壤化学
·
污染控制
·
植物毒理学
·
修复技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ACS Catalysis
·
2025
·
IF 13.1
Yanchun Shi,Jimei Zhang,Sihan Sun,Bi Wu,Lei Wang,Yulong Wu,Dingsheng Wang
Upgrading lignin-derived phenols to high-value arenes has garnered significant attention, while the major challenge lies in the selective cleavage of Caromatics–OH via hydroxyl hydrogenolysis. We systematically investigated the morphology-dependent properties of Ni@S-1 catalysts, encompassing their physicochemical characteristics, Ni nanoparticle properties, and the interaction between NiOx species and silicalite-1 (S-1) crystals as well as their performance in hydroxyl hydrogenolysis of vapor-phase m-cresol conversion. Both Ni@S-1 exhibited comparable Ni loading and crystal sizes but distinct morphologies, which originated from the complex intergrowth structures leading to variations in the dispersion and the location of Ni nanoparticles and significant differences in the shape-selective catalysis based on the confinement effect of S-1 channels for the vertical adsorption of m-cresol. Ellipsoidal Ni@S-1-Ell achieved m-cresol conversion of 96.9% (model reaction) along with hydrogenolysis products’ yield of 94.0%, which was 6.97 times in conversion and 22.38 times in yield of hydrogenolysis products than those of cylindrical Ni@S-1-Cyl under identical reaction conditions at 300 °C, 2.5 atm, and a feed rate of 6.0 g[m-cresol]/g[catalyst]·h.
研究领域:
催化化学
·
可再生能源
·
生物质转化
·
多相催化
·
材料化学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）