JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Jingwei Cao,Hongyue Guo,Qingsong Li
Ternary liquid–liquid phase equilibrium (LLE) data of water + 3-pentanone + extractants (methyl tert-butyl ether, 2-ethyl-1-hexanol, o-xylene, ethyl acetate) were measured to separate 3-pentanone of high purity from aqueous solutions at 308.2 K under 101.3 kPa. The ability to extract 3-pentanone from aqueous solutions was assessed by distribution coefficient (D) and separation factor (S). Hand and Bachman equations tested the reliability of the experimental data with linear coefficients (R2) not less than 0.99. Meanwhile, UNIQUAC and NRTL thermodynamic models regressed experimentally measured data to get the optimal binary interaction parameters, and the root mean square deviation (RMSD) was not more than 0.4%. The GUI-MATLAB program verified the consistency of binary parameters obtained from the NRTL model well.
研究领域:
化学工程
·
热力学
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DOI
高影响因子
Analytical Methods
·
2024
·
IF 2.7
Yuxin Wang,Hengyi Xu,Bo Sui,Hui Xi,Yingjie Fu,Wuduo Zhao,Peng Li,Shihao Sun,Dingzhong Wang,Jianxun Zhang
Development of combined mass spectrometry ionization sources has enabled expansion of the application and scope of mass spectrometry. A novel hybrid ionization system combining vacuum ultraviolet (VUV) and atmospheric pressure chemical ionization (APCI) was constructed. Gaseous samples were self-aspirated into an ionization zone through a capillary by negative pressure, generated by high-speed airflow based on the Venturi effect. Compared with APCI mode alone, the signal-to-noise ratio (S/N) in APCI/VUV mode was increased by about 276-times. To increase the ionization efficiency further, correlated experimental conditions were optimized. Four types of volatile organic compounds (VOCs) were tested to evaluate the performance of the APCI/VUV ion source. Excellent linearity and limit of detection were achieved for compounds in mixed solutions. Quantitative analyses of four VOCs (toluene, cyclohexanone, styrene and ethylbenzene) using APCI/VUV-MS were done, and the relative standard deviations (RSDs) were 1.57%, 6.30%, 4.49% and 8.21%, respectively, indicating that the APCI/VUV ionization source had excellent reproducibility. Our results demonstrated that the developed method was promising for analyzing VOCs as well as being rapid, simple, and easy to operate.
研究领域:
分析化学
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环境科学
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DOI
PubMed
高影响因子
TALANTA
·
2024
·
IF 5.6
Mengmeng Ji,Yi Chen,Yufei Hu,Gongke Li
The origin of coffee beans impacts the aroma, flavor, and consumer acceptance, resulting from volatile organic compounds (VOCs) such as ketones, aldehydes, alcohols, pyrazine, and esters. Among them, ketones are associated with the refreshing fruity flavor of coffee beans and can serve as key substances for identifying their origin. Herein, the novel method of cyclic cataluminescence (CCTL) was presented and proven to be feasible for differentiating the origins of coffee beans based on the ketones-involved multiple cataluminescence reactions. A series of exponential decay CCTL peaks were measured through nano Al 2 O 3 -catalyzed reactions. By fitting the variation of peak intensity I n with time t , the characteristic attenuation coefficient k was calculated, which can be used to successfully distinguish the origin of the selected coffee beans in combination with chemometrics. The method was validated in the tests of 82 coffee beans. Coffee from the same origin has similar k values, while coffee from different origins has different k values. The discrimination accuracy of linear discriminant analysis and hierarchical clustering analysis was 100 %. The established method was fast. We anticipate that the technique could also serve as a promising new tool for reliably, effectively, and swiftly identifying the origins of other plant products.
研究领域:
食品科学
·
分析化学
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DOI
PubMed
高影响因子
LANGMUIR
·
2026
·
IF 4.4
Zhipeng Su,Xueyin Zhang,Haiwei Li,Pingchuan Sun,Tiehong Chen
Desilication by alkali etching is generally used to prepare hierarchical zeolites to enhance their mass transfer properties; however, for high Si/Al ratio zeolites, the alkali etching would greatly reduce the framework crystallinity or even give rise to amorphous product. Though organic amines have been used as additives during alkali etching to protect the microporous framework, the problems of toxicity, volatility, high cost, and nitrogen-containing wastes induced by organic amines would hinder their scalable application. In this study, we provide a different viewpoint on the protective mechanism of zeolite micropores during alkali etching, and the attention is focused on the framework polarity, which has not been studied before. We develop a hydrophobic nitrogen-free organic molecule (such as acetophenone)-protected alkali etching method to prepare hierarchical zeolites with high crystallinity and high porosity, and the prepared hierarchical Y zeolites showed enhanced performance in the catalytic cracking of bulky molecules. This method is based on the principle that the hydrophobic micropores of high-silica zeolites could adsorb hydrophobic organic molecules from aqueous solution, which would fill in the zeolite micropores and prevent excessive OH– damage to Si–O–Si bonds. Thus, our method is facile for scalable production without the tedious pretreatment of vacuum dehydration, organic amine impregnation, and drying before alkali etching. Furthermore, concerning the characteristics of a nitrogen-free process and low volatility, using acetophenone as a protective agent would reduce the cost and avoid nitrogen-containing wastes in practical applications.
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PubMed
高影响因子
Engineering
·
2025
·
IF 11.6
Qingrui Zeng,Ziang Jia,Yingyang Song,Yiwen Fan,Xu Liu,Jinping Cheng
Carbon dioxide capture and storage (CCS) is an important technological path for realizing “carbon neutrality,” where carbon capture is one of the three key CCS technologies. At present, mature carbon capture technologies still have technical shortcomings and difficulties, such as low capture efficiency and high energy consumption, which limit their large-scale popularization and application. In this study, a solid–liquid phase change absorbent (PCA) system with isophorone diamine (IPDA) as the only carbon dioxide (CO 2 ) capture carrier and ketone-based organic molecules as the phase change medium was developed. The solid–liquid PCA system has a wide range of applicability, with highly efficient CO 2 capture (1.11 mol·mol −1 ) at concentrations ranging from typical values in air to those in coal-fired industrial emissions (400 to 150 000 ppm) and low-energy consumption regeneration, as revealed by a two-phase integrated engineering model. The CO 2 absorption product IPDA(NHCOO − ) 2 was characterized by materials science analysis, molecular dynamics (MD) calculations and quantum chemistry. The results indicate that in noncyclic ketone-based phase-change media, the hydrogen bonding in IPDA(NHCOO − ) 2 is modulated by noncovalent bond interaction (NCI) forces to form a small-scale hydrogen-bonding network. These properties ensure that the product can be easily regenerated by low-temperature thermal treatment (333 K, 60 °C), and characterization and calculations revealed a reaction mechanism different from that of the aqueous system. The technoeconomic evaluation (TEA) results show that this type of ketone-based PCA has an obvious low-cost advantage over traditional carbon capture technologies. This study provides a new perspective on the application and practical feasibility of PCAs for direct air capture of carbon dioxide.
研究领域:
化学工程
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环境科学
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材料科学
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DOI
高影响因子
ANALYTICAL CHEMISTRY
·
2025
·
IF 6.7
Jiyao Wang,Ruina Zhang,Shihao Li,Binghang Du,Xiaohao Wang,Kai Ni
In Ion Mobility Spectrometry (IMS), ion gates are essential for controlling ion flow, significantly impacting detection sensitivity and resolution. Despite various optimization methods, a clear approach is needed to define the performance limits of ion gates. This study proposes a linear relationship between peak intensity (Ip) and resolving power (Rp) at low ion quantities, introducing it as a reference for evaluating the optimization level. The Tri-State gate (TSG) enables the accurate study of this Ip–Rp relationship, but ion leakage of TSG disrupts control over narrow ion swarms, thereby limiting Rp. After the causes of ion leakage were examined, a preshaping method that removes the gate-opening phase was proposed to precisely control ion injection. This method leverages ion leakage to improve Rp while ensuring the linearity between Ip and Rp. The preserved linearity means avoiding excessive ion loss and shape distortion, ultimately leading to optimal resolving power. Simulations and experiments demonstrate that precise voltage adjustments effectively minimize ion leakage, enhancing resolving power by 50% (reaching a maximum of 106), while the corresponding decrease in signal intensity follows the Ip–Rp linear relationship. This approach expands the accessible range of Ip–Rp combinations without altering their fundamental relationship, reduces discrimination, and establishes a new evaluation method for optimizing ion gate performance in IMS.
研究领域:
分析化学
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生物医学工程
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DOI
PubMed
高影响因子
E-POLYMERS
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2020
·Vol. 20
·期 1
·214-225
·
IF 1.675
Wan-Xia Wu
A novel full bio-based ketone-containing aliphatic polyester was prepared by enzyme-catalyzed polycondensation of diethyl γ-ketopimelate (DEK) with 1,6-hexanediol (HDO) using immobilized lipase B from Candida antarctica (CALB). The influences of polymerization conditions such as temperature, time, enzyme amount, and solvent amount on the molecular weight of poly(hexamethylene γ-ketopimelate) (PHK) were investigated. New fully bio-based poly(hexamethylene γ-ketopimelate- co -hexamethylene adipate) (poly(HK- co -HA)) copolymers with narrow polydispersity and well-defined composition were synthesized by copolymerization of DEK, HDO, and diethyl adipate. The structures of PHK and poly(HK- co -HA) copolymers were characterized by nuclear magnetic resonance, and their thermal characterization was examined by thermogravimetric analysis and differential scanning calorimetry. The degradation of PHK and poly(HK- co -HA) copolymers was studied. The post-polymerization modification of these polyketoesters via oxime click chemistry was further demonstrated. Graphical
研究领域:
材料科学
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生物化学
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DOI
高影响因子
Analytical Methods
·
2021
·Vol. 13
·期 26
·2989-2996
·
IF 2.896
Yiwen Cao,Shenjie Zhu,Lin Zhang,Qun Cui,Haiyan Wang
Aiming at the difficulty in qualitative and quantitative analysis of trace compositions in food preservative propionic acid, the trace compositions and the key components influencing the total aldehyde content in propionic acid were analyzed by gas chromatography-mass spectrometry (GC-MS), high performance liquid chromatography (HPLC) and gas chromatography (GC) in this paper. The results show that the food preservative propionic acid contains 18 trace compositions. The main compositions affecting the total aldehyde content in propionic acid are acetaldehyde, propionaldehyde, 1-cyclopropyl-1-propanone and 2-methyl-2-pentenal, which account for ∼90% of the total aldehyde content in propionic acid. The total aldehyde content in propionic acid can be quickly determined by iodometric titration. However, the impurity compositions, solution oxygen content and pH value of propionic acid may affect the stability of NaHSO3, which lead to a higher titration value of the aldehyde content. The total aldehyde contents in propionic acid determined by GC (148.535–337.890 mg L−1) and HPLC (157.730–335.780 mg L−1) are close and reliable with a relative deviation of 0.31–3.00%. The volatile low-carbon aldehydes and ketones including formaldehyde, acetaldehyde and acetone have a weak response and a high detection limit in GC. The derivation conditions of all aldehydes and ketones in propionic acid should affect the determination results of HPLC. It provides the basic data for quality improvement and ultra-deep purification of food-grade propionic acid.
研究领域:
食品科学
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分析化学
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DOI
PubMed
高影响因子
TALANTA
·
2020
·
IF 5.339
Xue Li,Yuan-Yuan Cui,Cheng-Xiong Yang
Microporous organic networks (MONs) have shown great promise in separation science recently. Exploring novel, simple and convenient strategy to fabricate MONs coated capillary columns for gas chromatography (GC) still remains challenging but desirable for the development of MONs in chromatographic separation. To extend the potential application of MONs in separation science and to further develop novel method for the fabrication of MONs-based capillary columns, here we demonstrate a novel covalent coupling strategy to fabricate uniform MONs bonded capillary columns for GC separation of position isomers and hydrocarbons. The bare capillary column was firstly modified with (3-bromopropyl)trimethoxysilane to provide bromine sites for coupling with alkynyl monomers . The amino- and hydroxyl-functionalized MONs (MON-NH 2 and MON-OH) were then directly grown onto the inner wall of the brominated capillary columns via the covalent coupling between bromine and alkynyl groups. The uniform MON-NH 2 and MON-OH bonded capillary columns were obtained and showed good resolution for GC separation of dichlorobenzene , chlorotoluene, bromotoluene, and propylbenzene position isomers and many other hydrocarbons including linear alkanes, alkylbenzenes , pinene isomers, cyclohexane and benzene, ketones and aldehydes. The MONs bonded capillary columns also owned good lifetime and precision for dichlorobenzene isomers with the relative standard deviations (RSDs) of 0.2–0.3%, 1.2–2.1%, and 1.7–2.5% for retention time, peak height and peak area, respectively. In addition, the fabricated MON-NH 2 and MON-OH bonded capillary columns offered better resolution than commercial InertCap-1, InertCap-5, InertCap-1701 and InertCap-WAX capillary columns for the separation of chlorotoluene and bromotoluene position isomers. These results revealed the feasibility of covalent coupling strategy to fabricate MONs-based stationary phases in GC, highlighting the potential of MONs in separation science.
研究领域:
分析化学
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分离科学
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材料科学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2013
·
IF 3.334
Yunzi Feng,Yu Cai,Guowan Su,Haifeng Zhao,Chenxia Wang,Mouming Zhao
Two types of Chinese soy sauce , high-salt liquid-state fermentation soy sauce (HLFSS) and low-salt solid-state fermentation soy sauce (LSFSS), were used to investigate their differences in aroma profile by headspace solid-phase microextraction (HS-SPME) and gas chromatography-olfactometry/mass spectrometry (GC-O/MS). Results from descriptive sensory analysis showed that the alcoholic, cooked potato-like and caramel-like attributes were significantly higher in HLFSS, while LSFSS exhibited significantly higher sour and burnt attributes. In addition, aroma extract dilution analysis (AEDA) revealed 37 and 33 odour-active regions for HLFSS and LSFSS, respectively. Ethanol, 3-methyl-1-butanol, phenylacetaldehyde , 4-ethyl-2-methoxyphenol, 2-methoxy-4-vinylphenol and 3-(methylthio)propanal detected in HLFSS showed the highest flavour dilution (FD) factors, while 3-methylbutanal, phenylacetaldehyde and ethyl propanoate possessed the highest FD factors in LSFSS. Therefore, the traditional Chinese soy sauce HLFSS contained more complex volatiles and exhibited a richer aromatic profile compared with LSFSS.
研究领域:
食品科学
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分析化学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2019
·
IF 5.399
Hui Shen,Mingquan Huang,Mouming Zhao,Weizheng Sun
Typical ketone flavours (with variations in chain length, position and number of keto group, branched chain) were selected to investigate the effect of molecule structure of ketones on their interactions with myofibrillar proteins (MPs). Results showed that 2,3-pentanedione quenched the fluorescence of MPs more effectively than 2-pentanone and 3-pentanone due to the number of keto group. There was no significant difference between 5-methyl-2-hexanone and 2-heptanone, which was attributed to their similar molecular size and polarity. The quenching effect of homologous ketone flavours increased with carbon chain growth due to the higher hydrophobic interaction. Dynamic quenching played a major role in the fluorescence quenching process of MPs by 2-pentanone, 3-pentanone, 5-methyl-2-hexanone, 2-heptanone and 2-octanone. The α-helix content decreased gradually with the increase of ketones concentration. Results of GC/MS were in accordance with the fluorescence quenching analysis generally, whereas 2,3-pentanedione and 2-nonanone exhibited some differences due to their higher steric hindrance effects.
研究领域:
食品科学
·
蛋白质化学
·
香料化学
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DOI
PubMed
高影响因子
JOURNAL OF CATALYSIS
·
2018
·
IF 6.759
Zhao Yang,Wenhan Chen,Jinbao Zheng,Zhiqing Yang,Nuowei Zhang,Chuan-Jian Zhong,Bing Hui Chen
Carbon supported Pt-Ru nano-alloy with multiple reactive sites exhibits unprecedentedly efficient performance in acetone hydrogenation at room temperature. Catalytic properties can be controllably regulated and optimized via performing the specific annealing treatment for the catalyst. The essential correlation between the variations in catalyst’s annealing conditions and the resultant variation in catalytic properties has been explored and discussed as a structure-function relationship. The combination of Pt and Ru sites exhibits enhanced catalytic activity compared with monometallic ones. Larger PtRu alloy particle size favors the rapid C O hydrogenation and the improvement of catalytic selectivity to isopropanol. Isopropyl ether generation is related to the Pt defect sites on the surface, which can be blocked though the catalyst’s oxidation treatment . The presence of surface metal-oxide species is beneficial to the performance enhancement, resulting from the synergetic behavior between metal-oxide sites and metallic sites on respectively activating the reactants. Moreover, 3-pentanone is used as a probe molecule to verify the structure-function relationship of catalytic low-temperature C O hydrogenation on PtRu/C.
研究领域:
催化化学
·
材料科学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）