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ENERGY & FUELS · 2022 · IF 4.654

Characterization of Trace Oxygenates from Co-processing of Bio-oils with Petroleum-Derived Feed with GC × GC–MS

Yang Xu,Yudi Zhao,Xuan Guo,Yunming Fang

Co-processing of bio-oil and petroleum-derived feed in a fluid catalytic cracking process of a refinery is considered to be one of the most potential bio-liquid fuel preparation technologies. The detailed qualitative and quantitative analysis of the oxygenates in the co-cracking products facilitates optimization of the subsequent processing. In this study, an in-depth characterization of trace oxygenates from home-made co-processing liquid products in a fluid catalytic cracking (FCC) pilot plant unit at different bio-oil water-soluble phase (BOWS)/vacuum gas oil (VGO) mass blending ratios (0/100, 10/90, 20/80) at different reaction temperature (500 and 525 °C) was performed with quantitative and qualitative comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS). An internal standard method with the internal standard 1,1,3,3-tetramethoxypropane was used to quantify trace oxygenates, which was selected from the qualitative analysis of the co-processing liquid products. The results showed that the contents of phenols and benzofurans in the liquid products from co-processing were low and the addition of BOWS was beneficial to improve the co-processing conversion, reduce the coke yield, but reduce the gas products and gasoline yield. The deoxygenation of catalytic cracking for oxygenates also weakened with the increase of bio-oil addition. The increase of reaction temperature can strengthen the deoxygenation of catalytic cracking, but the excessively high temperature can strengthen the thermal cracking reaction and reduce the gasoline yield.

研究领域: 能源化学 · 分析化学
✓ 已验证 DOI 高影响因子
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FUEL PROCESSING TECHNOLOGY · 2020 · IF 4.982

Catalytic fast pyrolysis of cellulose over Ce0.8Zr0.2-xAlxO2 catalysts to produce aromatic hydrocarbons: Analytical Py-GC × GC/MS

Wenbin Li,Yongfeng Zhu,Shuirong Li,Yi Lu,Jida Wang,Keming Zhu,Jinlei Chen,Yunwu Zheng,Zhifeng Zheng

Analytical pyrolysis-comprehensive two-dimensional gas chromatography/mass spectrometry (Py-GC × GC/MS) was employed for the on-line analysis of cellulose via catalytic pyrolysis with different catalysts and catalytic temperatures to study the products and aromatic hydrocarbons selectivity. The catalysts were subjected to characterization methods, including XRD , TEM , NH 3 -TPD, to investigate the effects of the physicochemical properties of the catalyst on the product distribution. Results showed that the Ce 0.8 Zr 0.2-x Al x O 2 could significantly promote the formation of aromatic hydrocarbons under 400–550 °C. A lower catalytic temperature (≤350 °C) favored the formation of furan compounds, and a higher catalytic temperature (≥450 °C) supported the formation of aromatic hydrocarbons. The relative peak area of the aromatics prepared by using the Ce 0.8 Zr 0.15 Al 0.05 O 2 catalyst was the highest being 85.24% at 550 °C. Moreover, the selectivity of the single-ring aromatics, such as benzene, toluene and xylene, were significantly affected by the presence of the Ce 0.8 Zr 0.2-x Al x O 2 catalysts. The higher total acidity of Ce 0.8 Zr 0.15 Al 0.05 O 2 favored the formation of benzene and toluene. Additionally, the Ce 0.8 Zr 0.15 Al 0.05 O 2 catalyst had a great thermal stability. The catalyst recycling tests showed that the Ce 0.8 Zr 0.15 Al 0.05 O 2 catalyst can be reused five times to produce aromatic-rich bio-oil via catalytic fast pyrolysis .

CAS / MDL: 7784-27-2 10294-41-4
研究领域: 能源化学 · 催化材料科学
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2025 · IF 3.8

Comprehensive characterization of sulfur compounds in the diesel fraction using methylation/demethylation derived separation and GC × GC–MS/FID analysis

Li Yifei,Su Yanfei,Chen Zhengyu,Wu Jianxun,Zhang Weilai,Xu Chunming,Shi Quan,Zhang Linzhou

Comprehensive characterization of petroleum-derived sulfur compounds is crucial for researching and developing desulfurization catalysts, equipment, and processes. However, the complex composition and low concentration of sulfur compounds in oils make it challenging for molecular-level separation and characterization. In this work, sulfur compounds in the straight-run diesel fraction were selectively separated from the oil by the methylation/demethylation method, effectively yielding high-purity thiophenes and sulfides. Molecular-level compositional and structural characterization of sulfur compounds was accomplished through comprehensive two-dimensional gas chromatography (GC × GC) coupled with time-of-flight mass spectrometry. The separation significantly enhances the detection sensitivity for low-content sulfur compounds, thereby enabling a more comprehensive characterization of their molecular compositions and structures. Sulfur compounds with diverse skeletons and carbon numbers were tentatively characterized, including 1~3 cyclic sulfides, thiophenes, benzothiophenes, dihydrobenzothiophenes, dibenzothiophenes, tetrahydrodibenzothiophenes, phenanthrothiophenes, and benzonaphthothiophenes. Additionally, hundreds of individual sulfur compounds were characterized by mass spectrometry. Quantitative analysis for individual compounds and compound types was conducted using a flame ionization detector. Graphical

研究领域: 化学工程 · 石油化学 · 分析化学
✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2024 · IF 3.1

A GC×GC-MS method based on solid-state modulator for non-targeted metabolomics: Comparison with traditional GC-MS method

Yueyi Zhang,Haihui Ren,Xiao Tang,Qiaorong Liu,Wen Xiao,Zunjian Zhang,Yuan Tian

The formidable challenge posed by the presence of extremely high amounts of compounds and large differences in concentrations in plasma significantly complicates non-targeted metabolomics analyses. In this study, a comprehensive two-dimensional gas chromatography-quadrupole mass spectrometry (GC×GC-qMS) method with a solid-state modulator (SSM) for non-targeted metabolomics in beagle plasma was first established based on a GC-MS method, and the qualitative and quantitative performance of the two platforms were compared. Identification of detected compounds was accomplished utilizing NIST database match scores, retention indices (RIs) and standards. Semi-quantification involved the calculation of peak area ratios to internal standards. Metabolite identification sheets were generated for plasma samples on both analytical platforms, featuring 22 representative metabolites chosen for validating qualitative accuracy, and for conducting comparisons of linearity, accuracy, precision, and sensitivity. The outcomes revealed a threefold increase in the number of identifiable metabolites on the GC×GC-MS platform, with lower limits of quantitation (LLOQs) reduced to 0.5–0.05 times those achieved on the GC-MS platform. Accuracy in quantification for both GC×GC-MS and GC-MS fell within the range of 85–115%, and the vast majority of intra- and inter-day precisions were within the range of 20%. These findings underscore that relative to the conventional GC-MS method, the GC×GC-MS method developed in this study, combined with SSM, exhibits enhanced qualitative capabilities, heightened sensitivity, and comparable accuracy and precision, rendering it more suitable for non-targeted metabolomics analyses.

CAS / MDL: 75-77-4
研究领域: 分析化学 · 代谢组学 · 药学
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Food Chemistry-X · 2024 · IF 6.5

Effects of storage time on flavor characteristics of bran-free fermented Baijiu by using electronic sensory, descriptive sensory analysis, GC × GC–MS, and ICP-MS

Qiao Huang,Ying Liu,Lei Tian,Fuqiang Xiong,Zongjun He,Yanhui Zhao,Shuangquan Xiang,Xianping Qiu,Jianshen Yu,Tongwei Guan

By examining and analyzing bran-free fermented Baijiu (BFB) with varying storage periods (0–20 years), it was observed that the overall concentration of volatile compounds initially increases and subsequently decreases over time. Furthermore, BFB exhibited more kinds of long chain esters, higher concentration of acetals, and reduced furfural content. The process of cellaring can enhance the aged, sweet, and fruity aroma of BFB. 16 flavor compounds, including 1,1-diethoxyethane, ethyl dodecanoate, and ethyl hexadecanoate, can be used as markers for vintage BFB, and electronic sensory technology was capable of discerning BFB in different years. The results of redundancy analysis (RDA) showed a positive correlation between metals and aldehydes, esters, and ketones, while indicating a negative correlation with acids and alcohols. Al, Fe, and Ca underwent the most significant changes during storage period, and they were positively correlated with differential substances, such as benzaldehyde, vanillin, ethyl isovalerate, and ethyl palmitate ( P  < 0.01).

CAS / MDL: 123-96-6
研究领域: 食品科学 · 化学工程 · 分析化学 · 感官科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2025 · IF 8.2

Unraveling the formation of key aroma compounds in roasted pork during air frying: A complementary approach using GC-IMS, GC-O-MS, and GC × GC–MS

Huan Liu,Shuqi Zhao,Jingyu Li,Xinhe Zhang,Wenjing Li,Chanchan Sun,Chengyu Zeng,Cheng Li,Jiangyan Yu,Fengxue Zhang,Junke Li

The change of aroma fingerprint and its corresponding precursors during pork roasting remains unclear. The formation of key aroma compounds in roasted pork was determined through multidimensional mass spectrometry. The results indicated that the roasted pork exhibited pronounced roasty, fatty, meaty, sweet, and grassy notes. Thirty-nine key aroma compounds were identified, such as 2-ethyl-3,5-dimethylpyrazine, ( E, E )-2,4-nonadienal, and 1-octen-3-ol. Particularly, the pyrazines and unsaturated aldehydes were key contributors to the roasty and fatty aromas, respectively. The linoleic acid and oleic acid served as critical precursors for the generation of carbonyls and alcohols. The glucose, arginine, glycine, and alanine were essential precursors for the formation of pyrazines. Notably, the 1-octen-3-ol emerged as a key marker discriminating different roasting durations. The structural unfolding of proteins facilitated both the generation and retention of key odorants. These findings provided new insight for targeted regulation and quality control of aroma development in roasted meat products.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2023 · IF 4.3

Physicochemical properties and aroma characteristics of broad bean koji produced by disk starter propagation technology

Changbo Peng,Yimao Zhang,Xiaoqing Ye,Yuhui Zheng,Yu Chen,Xiaoqing Mei,Zhenming Che,Min Xu,Hongbin Lin,Jie Zhao,Qi Zhu,Wenwu Ding

In this study, the physicochemical properties and aroma characteristics of broad bean koji in the disk starter propagation system (DSPS) were studied by comparing with those in the incubator koji-making system (IKS) and the traditional koji-making system (TKS). The total acid content, amino acid nitrogen content, spore numbers and enzyme activities in the DSPS were significantly higher than those in the TKS and IKS. Among the 194 volatiles detected by GC×GC–MS in these three processes, 133, 159 and 123 appeared in DSPS, TKS and IKS, respectively. Fourteen volatiles were identified as aroma-active compounds by GC–O–MS, of which 10 compounds with OAVs greater than 1 were identified as key aromas. The koji qualities in different systems presented differences gradually with the incubation continuing by PCA analysis. The quantity of physicochemical properties associated with enzyme activity in the DSPS, IKS and TKS was 23, 17 and 22 respectively by the correlation analysis. The results indicated that a better quality of broad bean koji could be obtained in the DSPS.

研究领域: 食品科学 · 微生物学 · 分析化学
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