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PTR-TOF-MS
CHEMICAL ENGINEERING JOURNAL · 2020 · IF 10.652

Toluene oxidation process and proper mechanism over Co3O4 nanotubes: Investigation through in-situ DRIFTS combined with PTR-TOF-MS and quasi in-situ XPS

Jinping Zhong,Yikui Zeng,Mingyuan Zhang,Weihua Feng,Diran Xiao,Junliang Wu,Peirong Chen,Mingli Fu,Daiqi Ye

Improving catalytic efficiency is a yet still challenge in thermal catalytic oxidation. One of the key issues is to understand its catalytic oxidation mechanism. Here, a series of Co 3 O 4 samples were prepared by solvothermal method. The characterization records showed that nanotubular Co 3 O 4 -NTs-2 for its rough surface, low temperature reducibility, abundance of Co 3+ ions and surface adsorption oxygen species, thus exhibited high efficiency (T 90  = 240℃, Ea  = 67.42 kJ/mol) in catalytic oxidation of toluene. In-situ DRIFTS combined PTR-TOF-MS were applied to investigate the reaction process of toluene oxidation. These results revealed that the catalytic oxidation of toluene followed the listed way: toluene → benzyl alcohol → benzaldehyde → benzoate → benzene → phenol → benzoquinone → maleic anhydride and other ring opening by-products like ethanol, acetaldehyde, acetic acid, acetone etc., then ultimately mineralized to CO 2 and H 2 O. Furthermore, the results of quasi in-situ XPS in C 7 H 8 /N 2 , toluene conversion in O 2 -free evaluation and UV–vis-DRS analysis further confirmed that surface lattice oxygen played an important role in toluene oxidation, and gas-phase oxygen facilitated the reaction. The combination of a series of instruments provided a promising means for further understanding the oxidation mechanism of toluene.

研究领域: 环境科学 · 催化化学
✓ 已验证 DOI 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2023 · IF 6

Applying HS-SPME-GC-MS combined with PTR-TOF-MS to analyze the volatile compounds in coffee husks of Coffea arabica with different primary processing treatments in Yunnan

Li Wan,Hong Wang,Xinyuan Mo,Yueping Wang,Lianping Song,Liangyan Liu,Wenjuan Liang

Primary processing treatments are crucial to the flavor profile of coffee beans, which create the flavor precursors basis in coffee husks and diffuse into the beans, with satisfying outcomes. In this study, eleven coffee husks of Coffea arabica with different primary processing treatments (sun exposure, washing and honey treatment) from three latitudes of Yunnan were investigated by the combination of HS-SPME-GC-MS and PTR-TOF-MS. A total of 114 volatile organic compounds (VOCs) and 77 masses were identified. The characteristic compounds octanoic acid ( S1 ) and methyl linoleate ( S11 ) in sun-exposed, phenethyl alcohol ( F4 ), methyl salicylate ( F7 ), 3,5-dimethylbenzaldehyde ( F9 ) and phytone ( T9 ) in washed and n -hexadecanoic acid ( S9 ) of honey-treated husks were recognized by the ions at m/z 33.032, m/z 68.049, m/z 83.049, m/z 67.054, m/z 57.034, m/z 41.030 and m/z 49.010, respectively. This study demonstrated the feasibility and complementarity of HS-SPME-GC-MS and PTR-TOF-MS in the rapid identification of VOCs in coffee husks. Meanwhile, the antioxidant capacities of the 11 husks were evaluated in vitro , and the sun-exposed samples exhibited most promising potency, in which methyl salicylate ( F7 ), methyl linoleate ( S11 ), methyl linolenate ( S13 ), ethyl linoleate ( S14 ), ethyl linolenate ( S16 ), linalool ( T1 ), citronellol ( T2 ) and caffeine ( J3 ) contributed mainly to the antioxidant capacities.

研究领域: 食品科学 · 分析化学 · 农业科学
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JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES · 2026 ·Vol. 131 ·期 17 ·e2026JD047457 · IF 3.8

Measurement of VOCs Emission From Freshwater Algae by Vocus PTR-ToF-MS

Qiaodi Lu,Lei Yao,Shuwen Yan,Chuang Li,Xun Rong,Yuruo Fu,Cong An,Kaiqi Lai,Jiayi Zhou,Ning Wang,Yueyang Li,Lin Wang

Volatile organic compounds (VOCs) are receiving more attention for their potential to form ozone and secondary organic aerosol (SOA). Considerable amounts of VOCs are released from freshwater algae, and their chemical compositions and release rates have not been well understood. In this work, chemical compositions and release rates of VOCs emitted from a dominant algae species ( Microcystis aeruginosa ) in freshwater phytoplankton community were investigated under various cultivation conditions (i.e., BG11 medium, BG11 + extra nitrogen nutrient, BG11 + extra phosphorus nutrient, and low pH). 238 VOC species were identified from the emission of M. aeruginosa , among which 40 were hydrocarbons (elemental composition: CH), 81 were oxygenated-VOCs (elemental composition: CHO), 61 were nitrogen-containing VOCs (elemental composition: CHN and CHNO), 56 were sulfur-containing VOCs (elemental composition: CHS, CHSO, CHNS, CHNSO). The average release rates of hydrocarbons, oxygenated-VOCs (CHO), sulfur-VOCs (CHS and CHSO), and nitrogen-VOCs (CHN and CHNO) across all cultivation conditions were 668.6 ± 431.6, 352.0 ± 244.7, 2562.5 ± 1347.3, and 12.3 ± 5.76 ng·m −2 ·h −1 , respectively, among which, sulfur-VOCs were the dominant species. Adding NH 4 Cl or CO(NH 2 ) 2 as extra nitrogen nutrient significantly reduced total VOCs release. Hydrocarbons and nitrogen-VOCs were mainly released during the growth stage of algae, while some oxygenated species and sulfur-containing species were released during the decline phase. This study offers enhanced insight into the diversity and emission levels of VOCs produced by freshwater algae and underlying SOA and ozone formation over and around inland eutrophic lakes.

✓ 已验证 DOI 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

The characteristic VOCs of different parts of Artocarpus heterophyllus fruit based on HS-SPME-GC–MS and PTR-TOF-MS

Yueping Wang,Yequn Huang,Lianping Song,Hong Wang,Li Wan,Jinqian Pang,Wenjuan Liang

Insight investigation on both edible pulps and inedible parts involving inflorescence axis and shreds of Artocarpus heterophyllus Lam were carried out, a total of 98 VOCs and 201 masses were identified by the combination of HS-SPME-GC–MS and PTR-TOF-MS. Among them, according to the consistency of OAV and results of VIP > 1, p  < 0.05, compounds methyl isovalerate ( A2 ), 3-methylbutyl acetate ( A5 ) and octanoic acid, ethyl ester ( A21 ) were recognized as aroma markers to distinguish the pulps, shreds and inflorescence axis. Meanwhile, the inflorescence axis (IC 50 : 1.82 mg/mL) and shreds (IC 50 : 16.74 mg/mL) exhibited more excellent antioxidant potency than pulps (IC 50 : 17.43 mg/mL) in vitro . These findings validated the feasibility of coupling HS-SPME-GC–MS and PTR-TOF-MS for rapid detection of characteristic VOCs of this plant, and offered new prospect of fragrance utilization and waste management of the edible and inedible parts of A. heterophyllus fruit.

研究领域: 植物科学 · 分析化学 · 食品科学
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JOURNAL OF HAZARDOUS MATERIALS · 2019 · IF 7.65

Toluene oxidation over Co3+-rich spinel Co3O4: Evaluation of chemical and by-product species identified by in situ DRIFTS combined with PTR-TOF-MS

Jinping Zhong,Yikui Zeng,Dongdong Chen,Shengpeng Mo,Mingyuan Zhang,Mingli Fu,Junliang Wu,Zixue Su,Peirong Chen,Daiqi Ye

Series of Co 3+ -rich spinel Co 3 O 4 catalysts were synthesized and evaluated by toluene catalytic oxidation. An outstanding activity was achieved over Co 3 O 4 -N utilizing Co(NO 3 ) 2 ·6H 2 O as precursor (T 50 = 211 °C, T 90 = 217 °C at conditions: 1000 ppm(v), WHSV = 60 000 mL g −1 h −1 ). Results of comparative characterizations demonstrated that such excellent performance was mainly attributed to large surface area, high reducibility at low temperature, high abundance of Co 3+ ions and structure defects, as well as highly active surface oxygen. The results of in situ DRIFTS revealed that in the air or N 2 atmosphere, the by-products were almost the same. The reaction pathway of toluene oxidation can be described as follow: transformation of toluene from benzyl alcohol, benzaldehyde, benzoate, benzene, phenol, benzoquinone, maleic acid and to final products, which were fully confirmed by PTR-TOF-MS. Besides, ring opened by-products, such as acetone, acetic acid, acetaldehyde, etc. were also detected. In this work, the combination of in situ DRIFTS and PTR-TOF-MS provided a promising approach for further understanding of the mechanism of VOCs elimination.

✓ 已验证 DOI 高影响因子
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ACS Applied Materials & Interfaces · 2022 · IF 10.383

Efficient Catalytic Combustion of Cyclohexane over PdAg/Fe2O3 Catalysts under Low-Temperature Conditions: Establishing the Degradation Mechanism Using PTR-TOF-MS and in Situ DRIFTS

Qiuxia Liu,Meicheng Wen,Yunlong Guo,Shengnan Song,Guiying Li,Taicheng An

Cyclohexane, a typical volatile organic compound (VOC), poses high risks to the environment and humans. Herein, synthesized PdAg/Fe2O3 catalysts exhibited exceptional catalytic performance for cyclohexane combustion at lower temperatures (50% mineralization temperature (T50) of 199 °C, 90% mineralization temperature (T90) of 315 °C) than Pd/Fe2O3 (T50 of 262 °C, T90 of 335 °C) and Fe2O3 (T50 of 305 °C, T90 of 360 °C). In addition, PdAg/Fe2O3 displayed enhanced stability by alloying Ag with Pd. The redox and acidity of the PdAg/Fe2O3 were studied by XPS, H2-TPR, and NH3-TPD. In situ diffuse reflectance infrared Fourier transform spectroscopy and proton-transfer-reaction time-of-flight mass spectrometry were applied to identify the intermediates formed on the catalyst surface and in the tail gas during oxidation, respectively. Results suggested that loading PdAg onto Fe2O3 significantly enhanced the adsorption and activation of oxygen and cyclohexane, oxidative dehydrogenation of cyclohexane to benzene, and catalytic cracking of cyclohexane to olefins at low temperatures. This in-depth study will benefit the design and application of efficient catalysts for the effective combustion of VOCs at low temperatures.

研究领域: 环境科学 · 催化化学
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