JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Chao Guo,Yangtong Tan,Yu Qian,Siyu Yang
The synergistic effect for a solvent mixture of 2-pentanone and n-pentanol to extract hydroquinone from aqueous solution was investigated. Liquid–liquid equilibria data for the quaternary (2-pentanone + n-pentanol + hydroquinone + water) system were measured under atmospheric pressure at 298.2 K, using various compositions of solvent mixture. The tie-line length was calculated to estimate the size of the immiscibility zone. The distribution coefficient and separation factor were calculated to evaluate the extraction efficiencies. The experimental data were correlated with NRTL and UNIQUAC models, and the corresponding binary interaction parameters were obtained.
研究领域:
化学工程
·
物理化学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2024
·
IF 4
Qianqian Xing,Xiaoliang Jia,Shiyu Jia,Yongqin Qi,Yuqi Wang,Yingxiong Wang,Xianglin Hou
The traditional synthesis methods of cyclopropyl methyl ketone (CPMK) have some disadvantages such as low yield, slow reaction rate and unclear catalytic mechanism. To solve these problems, a new strategy is developed to synthesize CPMK from 5‑chloro-2-pentanone (CPE) using 1,8-diazabicyclo[5.4.0]undec‑7-ene (DBU). Experiment results show that the yield of CPMK reached a maximum of 96.5 % in DBU at 40 °C for 30min. The mechanism study shows that the hydrogen bond between DBU and CPE is the key to drive the deprotonation and cyclization of CPE. The hydrogen bond is formed between the N atom on C = N of DBU and the α-H on the methylene group associated with the carbonyl group on CPE. The catalyst DBU is converted into [DBUH] + Cl − , which can be reclaimed and recycled completely. The density functional theory (DFT) calculation confirmed the existence of molecular hydrogen bonds and proved that the hydrogen bond driving force is the key to the reaction. The hydrogen bond driven mechanism provides a new idea for the basic research of cyclization reaction.
研究领域:
有机化学
·
催化反应
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产品关联
DOI
高影响因子
GREEN CHEMISTRY
·
2023
·
IF 9.8
Tan Li,Jing Su,Linjia Yin,Xiangkun Zhang,Cong Wang,Xinbao Li,Jing Zhang,Kaige Wang
A Cu-based catalyst was developed for one-step solvent-free synthesis of aviation biofuel from biomass-derived ketones, including acetone, cyclopentanone, cyclohexanone, and 2-pentanone. Under the optimal working conditions, the conversion rate of acetone, cyclopentanone, cyclohexanone and 2-pentanone of 100% can be achieved by using Cu/Al2O3. 79.7 c% maximum carbon yield of liquid hydrocarbons with 89.5% selectivity of aviation biofuel was obtained under the conditions of 1.0 MPa H2, 280 °C, and 2 h−1 WHSV. The effects of the calcination temperature on the acidity and basicity of the catalyst, as well as the valence and dispersion of Cu species, were investigated. Based on DFT calculations and in situ DRIFTS results, the preferred adsorption of carbonyl groups and efficient dissociation of hydrogen on Cu+ increased the local concentration of H and feedstock on the catalyst surface, accelerating the rate-determining step that predominated on Cu0. The synergistic effect of Cu0 and Cu+ enhanced the formation of aviation biofuel.
研究领域:
催化
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化学工程
·
可再生能源
·
材料科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Mai Han,Song Lin,Mingyi Xu,Yueyang Jiang,Qingqing Yin,Yufan Pang,Yujian Song,Qingsong Li
In order to extract and refine tetrahydrofurfuryl alcohol (THFA) from water, this work obtained the liquid–liquid equilibrium (LLE) data of THFA in the aqueous solution using 4-Methyl-2-pentanone (MIBK) and 4-Methyl-2-pentanol (MIBC) at 303.2 K, 313.2 K, and 323.2 K under 101.3 kPa. The distribution coefficient ( D ) and selectivity coefficient ( S ) were used to evaluate the effect of extracting THFA from an aqueous solution, and it is found that both two solvents are excellent for the extraction of THFA. The Othmer-Tobias and Hand equations were used to verify the reliability of the LLE data with the linear coefficient was greater than 0.99%. The NRTL and UNIQUAC models successfully correlated the experimental data with the RMSD% values less than 0.57% and 0.56%, respectively. The GUI-MATLAB tool was used to verify the excellent reliability of the regression parameters.
研究领域:
化学工程
·
热力学
·
分离科学
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产品关联
DOI
高影响因子
RESEARCH ON CHEMICAL INTERMEDIATES
·
2022
·Vol. 49
·期 1
·241-252
·
IF 3.134
Xing Qianqian,Zhao Jiancheng,Zhu Yulei,Hou Xianglin,Wang Yingxiong
5-Chloro-2-pentanone (5C2P) and its derivatives are widely utilized in the pharmaceutical and agrochemical industry. A new catalytic approach was proposed to convert 3-acetyl-1-propanol to 5C2P using bis(trichloromethyl)carbonate (triphosgene, BTC) as the efficient chlorine source. Various qualitative and quantitative nuclear magnetic resonance techniques ( 1 H, 13 C NMR), especially 1D selective gradient total correlation spectroscopy (Sel-TOCSY) and 2D heteronuclear single quantum correlation ( 1 H- 13 C HSQC) were used in the process. The reaction conditions, such as temperature, time, mole ratio, solvent as well as initiator were optimized. Experiment results showed that the yield of 5C2P reached a maximum of 97.93% in 1,2-dichloroethane at 80 °C after 2 h under the initiation of N,N-dimethylacetamide, and the optimal molar ratio of 3-acetyl-1-propanol to BTC was 1:0.4. The reaction mechanism was proposed and confirmed accordingly. Interestingly, an intermediate product of 1-(dimethylamino)ethyl carbonochloridate was observed, and its chemical structure was characterized by both Sel-TOCSY and 1 H- 13 C HSQC. This study enriched the catalytic reaction ways for the preparation of 5C2P.
研究领域:
有机化学
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药物化学
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合成化学
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DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2021
·Vol. 50
·期 4
·544-557
·
IF 1.677
Dong Shihua,Jia Bing,Chen Xiubin,Jiang Xiaobo
For separation of the azeotropes of water + 2-methyl-3-buten-2-ol by liquid–liquid extraction, methyl tert-butyl ether or butyl acetate or 4-methyl-2-pentanone or 2-ethyl-1-hexanol was selected as the extraction solvent. The liquid–liquid equilibrium (LLE) data for water + 2-methyl-3-buten-2-ol + (methyl tert-butyl ether/butyl acetate/4-methyl-2-pentanone/2-ethyl-1-hexanol) ternary systems at 308.2 K under 101.3 kPa were determined. The distribution coefficient and the separation factor were calculated to evaluate the extraction ability of different solvents. The Othmer–Tobias, Bachman, and Hand equations were applied to verify the reliability of the experimental LLE data. Meanwhile, the experimental LLE data were successfully correlated by the NRTL and UNIQUAC models with the root-mean-square deviations (RMSD) were less than 0.42%.
研究领域:
化学工程
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热力学
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物理化学
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Xinyang Li,Taiyu Li,Jixiang Zhang,Xiaoguo Ying,Shanggui Deng,Gengsheng Xiao,Soottawat Benjakul,Charles Brennan,Lukai Ma
Sea bass ( Lateolabrax japonicus ) is favored by consumers, but the oxidation of visceral lipids during refrigeration has not been studied. This research investigates the effect of visceral lipid oxidation on storage quality. The results show that visceral lipids oxidize first, leading to a 1.72, 2.36, and 2.04-fold increase in malondialdehyde, 4-hydroxy-2-nonenal, and 4-hydroxy-2-hexenal levels, respectively. The total free radicals, alkoxy radicals, and hydrogen radicals increased by 18.13 %, 18.17 %, and 9.87 %, respectively. Visceral lipid oxidation damages myofibrillar proteins, reducing sulfhydryl content by 18.11 %. The viscera also promote protein oxidation, particularly of actin. Volatile component and electronic nose analyses revealed significant odor deterioration due to lipid oxidation and protein degradation. Molecular docking confirms that 4-hydroxy-2-nonenal binds to 15 amino acids in β-actin. Therefore, spoilage occurs from the inside out, and viscera should be removed before freezing.
研究领域:
食品科学
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生物化学
·
水产学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD SCIENCE
·
2025
·Vol. 90
·期 7
·e70380
·
IF 3.4
Xiayu Zhong,Shihong Cai,Limei Yu,Hao Dong,Qiaoyu Liu,Yuanhong Zhang,Xiaofang Zeng
Sugar plays a crucial role in the processing of Cantonese sausages, endowed it unique flavor perceptions. The aim of this study was to investigate the effect of sugar levels on the structure and flavor binding capacity of pork myofibrillar proteins (MPs) during the processing of Cantonese sausages. Results showed that sugar addition could significantly enhance the concentration of flavor compounds in Cantonese sausages, with ester emerging as the key aroma compounds. Moreover, 6% sugar addition generally showed the highest flavor concentration, which could be associated with the structural changes mediated by different sugar levels. Sugar addition could cause structural unfolding and reassembly to MPs, forming more loose structures with significant decrease in α-helix and increase in β-sheets. And the surface hydrophobicity first decreased and then increased with increasing in sugar content, peaking at 6% and 9% sugar addition. All these could affect the flavor adsorption capacity of MPs, showing improved adsorption capacity to alcohol and ketone compounds and releasing effect to ester and aldehyde compounds upon sugar addition. The driving force for the adsorption could be attributed to the exposure of the hydrophobic sites in MPs, which could reduce the surface tension and thus promote the adsorption of flavor compounds. The results obtained in this study provided theoretical basis and data support for the processing of low-sugar Cantonese sausage with good flavor perception.
研究领域:
食品科学
·
蛋白质结构
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风味化学
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食品加工技术
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产品关联
DOI
PubMed
高影响因子
Foods
·
2025
·Vol. 14
·期 6
·935
·
IF 5.1
Kun Tang,Cong Chen,Yutong Liu,Suxuan Li,Yiye Luo,Xiaoyu Chen,Zhiyong Wu
Pandan leaves have a prominent glutinous-rice aroma; however, few studies have explored their volatile aroma compound composition. Herein, the differences in the volatile aroma components of fresh and dried pandan leaves were investigated for the first time using HS–SPME–GC–O–MS combined with principal component analysis, orthogonal partial least squares discriminant analysis, and HS-GC-IMS with aroma fingerprinting. A total of 93 volatile compounds were identified, exceeding previous reports, including 43 main flavor components with odor activity values (OAV) > 1. OAV and aroma extract dilution analysis tests reveal 13 main aroma volatiles including 2-acetyl-1-pyrroline, hexanal, nonanal, phenylacetaldehyde, β-cyclocitral, butanal, ethyl caprylate, ethyl nonanoate, ethyl caprate, ethyl laurate, 3-hydroxy-2-butanone, acetophenone, and α-ionone. Sixteen types of aromas were classified, and the results are presented as flavor wheels. The findings of this study elucidate the changes and retention of aroma volatiles in differently processed leaves, which could benefit food industry applications.
研究领域:
食品科学
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植物学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Nutrition
·
2025
·
IF 5.1
Qiaozhen Zhang,Yue Sun,Yahui Sun,Cui Guo,Jiayin Zhu,Xinkui Niu,Mingshuang Gao
Introduction: Potato chips are the primary product of the potato leisure food market. And the level of consumer preference is strongly influenced by their flavor.Methods: In this study, five potato chips were compared by combining their physicochemical properties, sensory characteristics, and volatile flavor compounds. The volatile flavor compounds in potato chips were evaluated using gas chromatography-ion mobility spectroscopy (GC-IMS).Results and discussion: GC-IMS identified 57 volatile flavor compounds, including 17 aldehydes, 9 esters, 10 ketones, 3 pyrazines, 12 alcohols, 3 acids, 1 pyridine, and 2 ethers. Moreover, the aldehydes had the largest relative amount and kind. Seven identical key volatile flavor compounds with ROAV ≥ 1 were examined in five potato chips. In addition, the variety of key flavor compounds with ROAV ≥ 1 was more abundant in Leshi (LS) industrial fresh-cut fried potato chips. While the types of key volatile flavor compounds in Leshi (LS) industrial fresh-cut fried potato chips and other composite potato chips varied, the types of key volatile flavor compounds in composite fried and baked potato chips made with various formulations were consistent. In the sensory evaluation, Shuyuan (SY) industrial composite potato chips and Shiyanshi (SYS) homemade composite baked potato chips were preferred overall. The Leshi (LS) industrial fresh-cut fried potato chips and Kebike (KBK) industrial composite fried potato chips had greater relative levels of harmful factors. But none of the potato chips included trans-fatty acids. The correlation heatmap showed that the harmful factors in potato chips were mainly positively correlated with volatile flavor compounds such as aldehydes and ketones originating from the oxidative degradation of fat.Conclusion: The study provided a reference for choosing appropriate process conditions in potato chip processing so that the safety of the food can be enhanced while obtaining consumer-preferred food flavors.
研究领域:
食品科学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
Animals
·
2025
·Vol. 15
·期 6
·844
·
IF 2.7
Shengchen Zheng,Jianwei Lin,Yong Chen,Changjiang Zang,Fan Yang,Jiahao Li,Xiaobin Li
Simple SummaryThis study examines the impact of sodium acetate and sodium butyrate supplementation on the compositional profile, blood biochemical parameters, and volatile flavor compounds of lactating mares’ milk. By employing comprehensive analytical techniques, including Gas Chromatography–Ion Mobility Spectrometry (GC-IMS), this study elucidates the effects of these additives on both the chemical composition and sensory attributes of the milk. The findings offer critical insights into optimizing its flavor profile, enhancing overall quality, market appeal, and nutritional value.This study aims to explore the impact of adding sodium acetate and sodium butyrate on the composition, blood biochemical parameters, and volatile flavor compounds of lactating mares’ milk. By assessing the influence of these additives on milk flavor enhancement, the findings provide scientific evidence for optimizing flavor characteristics and offer new strategies for improving the sensory attributes of mare milk products. Eighteen lactating Yili mares were randomly assigned to three groups: a control group, a sodium acetate group (85 mg/kg·BM−1), and a sodium butyrate group (85 mg/kg·BM−1). The experiment lasted 90 days, with milk yield recorded on days 0, 30, 60, and 90. Milk samples were collected on day 60 (peak lactation) for compositional analysis, and GC-IMS was employed to identify and quantify volatile compounds. Additionally, blood samples were drawn from the jugular vein before morning feeding on day 60 using heparinized tubes to assess key biochemical markers, including glucose, triglycerides, total cholesterol, and urea. The results revealed the following findings: (1) Milk yield and composition: The addition of sodium acetate and sodium butyrate had no significant effect on milk yield. However, both treatment groups exhibited significantly or extremely significantly higher milk fat content compared to the control group, whereas milk protein and lactose levels remained largely unchanged. (2) Blood biochemical indicators: The sodium butyrate group showed an extremely significant increase in urea levels compared to the sodium acetate and control groups. Glucose levels in the sodium acetate group were also significantly higher than in the control group. Moreover, triglyceride levels were markedly elevated in the sodium butyrate group compared to the sodium acetate group, while total bilirubin concentrations were significantly higher in the sodium acetate group than in the control group. (3) Volatile compounds: The addition of these additives led to a significant increase in the diversity and concentration of volatile compounds in mare milk. Notably, esters, aldehydes, and ketones showed substantial enrichment in both treatment groups. The relative abundance of esters such as butyl acetate, L-lactic acid ethyl ester, 1-pentene-3-ol, pentanol, and 3-pentanone increased, alongside a significant rise in aldehydes and ketones, including 2-heptenal and 3-pentanone. In conclusion, sodium acetate and sodium butyrate enhance milk flavor by modulating milk composition and metabolic parameters, providing a scientific foundation for improving the quality of mare milk products.
研究领域:
食品科学
·
动物营养学
·
代谢组学
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产品关联
DOI
PubMed
高影响因子
Cell Reports Physical Science
·
2025
·
IF 7.3
Wenxuan Li,Jianjia He,Yilan Zhang,Le Ye,Guoying Yao,Zixuan Zhang,Shiang Li,Xinhui Lu,Haipeng Lu,Tao Zeng,Zhenyu Yang
Two-dimensional metal halide perovskites (TMHPs) have emerged as prominent semiconductor materials in optoelectronic devices due to their composition-dependent properties. While previous research has concentrated on the types and the lengths of cations affecting TMHPs, our study systematically explores a new series of Dion-Jacobson (DJ)-phase TMHP structures featuring dithioketal-containing organic cations. Through X-ray crystallography and spectroscopy analyses, we demonstrate that steric hindrance from longer-branched groups distorts the structures and influences the photophysical behaviors of TMHPs. Additionally, we observe thermodynamically driven transitions from the DJ phase to the Ruddlesden-Popper (RP) phase when incorporating cations with extended branches, further impacting their structural and optoelectronic characteristics. Understanding and controlling these structural changes enable the design of TMHPs with tailored properties, opening avenues for advanced materials that enhance device performance.
研究领域:
材料科学
·
光学
·
半导体物理
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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）