FOOD RESEARCH INTERNATIONAL
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2022
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IF 7.425
Haitang Wang,Hongwei Zhang,Qian Liu,Xiufang Xia,Qian Chen,Baohua Kong
Myofibrillar proteins (MPs) are the major components of meat and meat products, which can affect the flavour perception by interacting with volatile compounds. Therefore, the interaction between ketones (2-pentanone, 2-hexanone, and 2-heptanone) and porcine MPs was investigated in this work. The results showed that the binding ability of ketones to MPs was significantly enhanced with increasing protein concentration ( p < 0.05); moreover, larger ketone carbon chains resulted in a stronger binding between MPs and ketones ( p < 0.05). The MP–ketone interaction occurred through irreversible covalent binding and reversibly physicochemical binding, in which hydrophobic interactions may play a more predominant role. Furthermore, static and dynamic quenching occurred during the binding between MPs and ketones, leading to changes in the secondary structure and microenvironment of MPs. Finally, the results of molecular docking further confirmed that the hydrophobic interaction was the main driving force in the myosin–ketones systems. This work improves our understanding of the interaction mechanism between ketones and MPs at the molecular level.
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高影响因子
Foods
·
2022
·Vol. 11
·期 6
·891
·
IF 5.561
Hao Li,Rui Zheng,Fangfang Zuo,Chengyu Qian,Zhengan Yao,Ruipeng Dong,Di Zhao,Chunbao Li
Proteolysis occurs extensively during postmortem aging, enzymatic tenderization and fermentation of meat products, whereas less is understood regarding how proteolysis affects meat flavor. Myofibrillar proteins (MP) were extracted from beef longissimus dorsi muscle and subsequently treated with three commercial proteases. The effect of proteolysis on the interactions between the treated MP and butyraldehyde, 2-pentanone, octanal and 2-octanone was investigated. The progress of proteolysis increased the degree of hydrolysis (DH) and the surface hydrophobicity but decreased the turbidity and particle size. Fluorescence-quenching analysis results indicated that the enzymatic treatment generally increased the quenching constant (Ksv) between the treated MP and ketones but decreased the Ksvbetween the treated MP and aldehydes, and the papain treatment changed the Ksvvalue to a larger degree than treatment with proteinase K and bromelain. The adsorption assay showed that the proteinase K treatment largely increased the adsorption capacity of the MP to octanal (by 15.8–19.3%), whereas the bromelain treatment significantly reduced the adsorption capacity of the treated MP to butyraldehyde (by 6.0–7.9%) and 2-pentanone (by 9.7–11.9%). A correlation analysis demonstrated a strong positive correlation (0.859,p< 0.05) between the DH of the MP and the adsorption ability of the treated MP to octanal. This study highlighted the significant but complex influence of proteolysis on MP binding capacity to flavor compounds.Keywords:enzymatic hydrolysis;myofibrillar proteins;flavor compounds
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JOURNAL OF CHROMATOGRAPHY A
·
2022
·
IF 4.601
Ruijuan Duan,Meiling Qi
This work presents the investigation of two new pentiptycene (PP)-functionalized triblock copolymers (PEPE1, PEPE2) for gas chromatographic (GC) analyses with an aim to address the separation problems toward analytes of high resemblance in properties and a wide variety of components in complex samples. Up to date, these two materials are not reported in any fields. The PEPE1 and PEPE2 columns showed close column efficiency (above 4000 plates/m) but differed in polarity, morphology and separation performance. As testified by the challenging Grob test mixture, the PEPE1 column exhibited comprehensively higher separation capability than the PEPE2 column and the commercial reference columns. Also, the PEPE1 column achieved high-resolution performance for both apolar and polar isomers of high resemblance, such as xylenes, phenols and anilines. Moreover, it displayed high inertness towards carboxylic acids and excellent separation repeatability and reproducibility tested by the aniline isomers with the RSD values in the range of 0.01–0.04% for run-to-run, 0.09–0.13% for day-to-day and 1.2–2.0% for column-to-column, respectively. Its application to GC–MS analysis of the essential oil from tea flowers demonstrated its advantageous separation performance towards a wide range of components and proved its feasibility for practical analyses of complex samples.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Kui Wu,Xiaofang Li,Lingfeng Xu,Runlin Han,Xiaobing Liu,Yajun Li,Dingwa Zhang,Yan Sui
For the design, optimization, and control of the solution crystallization process of diacetone acrylamide (DAAM), solid–liquid equilibrium data in various solvents are critical. In this work, the solubility of DAAM in 15 pure solvents, such as methanol, ethanol, n-propanol, isopropanol, n-butanol, 1-hexanol, isobutanol, n-pentanol, isopentanol, 2-butanone, acetone, ethyl acetate, 2-pentanone, acetonitrile, methyl acetate, and ethyl formate, is analyzed by a gravimetric method under ambient pressure and temperatures ranging from 272.05 to 323.65 K. The solubility values in all of the solvents are positively correlated with temperature. The solubility of DAAM can be satisfactorily correlated by the Apelblat equation, λh equation, nonrandom two-liquid (NRTL) model, and Wilson model, and the calculated solubility agrees well with the measured results. The obtained maximum relative average deviation (RAD) and root-mean-square deviation (RMSD) are 2.44 × 10–2 (n-propanol, NRTL model) and 2.40 × 10–2 (methanol, λh equation), respectively. The most suitable model is the Apelblat equation.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
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IF 2.4
Yujiang Ke,Xiaofang Li,Lemei Huang,Chaohui Che,Kui Wu
Abstract The solubility behavior of 4-chlorobenzophenone (4-CBP) was measured in 16 pure solvents (eight alcohols, four ketones, three esters, and acetonitrile) from 271.95 to 324.05 K at atmospheric pressure. X-ray powder diffraction confirmed crystal stability during dissolution, while differential scanning calorimetry determined its melting properties. Five thermodynamic models (modified Apelblat, λh, NRTL, Wilson, and Yaws) were applied to correlate the solubility data. The Kamlet–Abboud–Taft model was introduced to decipher solvent effects by deconvoluting contributions from polarity and hydrogen-bonding. Fitting performance was evaluated using relative average deviation and root-mean-square deviation. Results show that the solubility of 4-CBP increases with rising temperature and that all five models provide satisfactory agreement with the experimental data. The KAT-LSER analysis reveals the dominant solvent parameters that govern solubility. Thermodynamic mixing properties derived from the Wilson model indicate that dissolution is spontaneous and entropy-driven. This study establishes a comprehensive solubility database for 4-CBP, providing critical thermodynamic evidence for the rational design of crystallization processes.
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ACS Applied Materials & Interfaces
·
2023
·
IF 9.5
Wen-Chao Deng,Hai-Long Qian,Cheng Yang,Shu-Ting Xu,Xiu-Ping Yan
Covalent organic frameworks (COFs) are promising as stationary phases for gas chromatography (GC). The successful anchoring of COFs to the inner walls of the capillary with good uniformity is an important prerequisite to ensure the excellent separation performance of columns. However, current methods for the fabrication of COF-based capillary columns cannot always meet this requirement when faced with different COFs, which hampers the further development of COF-based GC stationary phases. Here, we show a general two-step method for the fabrication of COF-bound capillary column. The first step enables the formation of uniform amorphous polymer layer on the inner walls of capillary, while the second step allows the facile transformation of the amorphous polymer layer into a highly crystalline COF layer. COF-bound capillary columns with different framework structures were fabricated successfully by the developed two-step method. Impressively, the COF layers bound on the inner walls of these capillary columns showed good uniformity and high crystallinity. More importantly, as an example, the fabricated Tab-DHTA-bound capillary column showed good resolution (R > 1.5) and high column efficiency (700–39,663 plates m–1) for the tested isomers of ethylbenzene, xylene, dichlorobenzene, chlorotoluene, pinene, 1,3-dichloropropene, and propylbenzene with good precision (RSD, run-to-run, n = 5) (retention time, 0.2–0.6%; peak area, 0.5–1.1%; and peak height, 0.5–1.4%). In general, the fabricated Tab-DHTA-bound capillary column exhibited better performance for the separation isomers than commercial columns DB-5 and HP-FFAP. These results indicate that the two-step method is an efficient way to fabricate the COF-bound capillary column with excellent separation performance.
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Horticulturae
·
2026
·Vol. 12
·期 9
·1165
·
IF 3.4
Genlin Mao,Diyang Qiu,Wanbing Chen,Jiwu Zeng
Citrus medica‘Guangdong Xiangshui’ is a commercially valuable specialty citrus cultivar whose leaf volatile organic compounds (VOCs) hold promise for applications in food flavor development. Although rootstock genotype is known to influence secondary metabolism in scions, its specific regulatory effects on leaf VOCs in this cultivar remain poorly understood. In this study, headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS) combined with multivariate statistical analysis was employed to profile leaf VOCs from plants grafted onto four different rootstocks, alongside own-rooted controls. For comparative purposes, leaf and pericarp VOC profiles were also analyzed under identical conditions. A total of 43 valid ion signals were detected, of which 27 neutral parent volatile compounds—predominantly aldehydes, alcohols, ketones, esters, and sulfur-containing compounds—were tentatively identified via database matching (match score > 80%). Distinct volatile fingerprints were observed among rootstock genotypes and propagation modes, and nine candidate differential compounds with variable importance in projection (VIP) > 1 were screened, demonstrating that HS-GC-IMS coupled with exploratory chemometric analysis enables preliminary discrimination of leaf samples across rootstock treatments. Comparative tissue analysis revealed pronounced metabolic divergence: leaves accumulated abundant C6 aldehydes and alcohols, indicative of lipoxygenase (LOX) pathway activity, whereas pericarp exhibited a higher proportion of terpenoids, consistent with terpene synthase (TPS) pathway dominance. However, these metabolic profiling results alone do not conclusively establish pathway-mediated regulatory mechanisms, necessitating further molecular and biochemical investigations. Collectively, this study provides foundational data for rootstock selection and the utilization of leaf aroma resources inC. medica‘Guangdong Xiangshui’.
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JOURNAL OF MOLECULAR STRUCTURE
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2023
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IF 3.8
Kaixuan Shen,Han Zhao,Yihao Zhao,Xiaoxiang Wang,Ping Cheng,Congfei Yao,Jie Zhang,Yongpeng Yang,Weijia Huang
With regard to the physical absorbents for CO 2 removal, the alteration of carbon-chain structure may benefit the CO 2 absorption performance. However, the relationship between the carbon-chain structure of ketones absorbents and their CO 2 absorption capacity has rarely been studied, and the related mechanism is unclear. In this study, theoretical calculations and thermodynamic experiments were carried out to explore the effects of the carbon-chain length and isomerism of ketones on their CO 2 absorption performance. The density functional theory (DFT) simulations show that the F-∥ configuration is more stable than the others for the CO 2 +ketone complex in most cases. The followings are obtained according to the experimental results, which are pretty consistent with DFT calculations. The dissolution of CO 2 in the ketone is a typical physical process. As the number of carbon atom increases, the CO 2 absorption capacity of straight-chain ketones increases. Straight-chain ketones exhibit higher CO 2 absorption capacity than branched-chain ones. The effect of increasing carbon-chain length and isomerism on CO 2 absorption capacity are both stronger for the ketones with fewer carbon atoms; the influence mechanism can be attributed to different degrees of weak hydrogen-bond interaction between CO 2 and ketone molecules, suggested by the DFT simulation results. The above conclusions are beneficial for the development of potential CO 2 capture absorbents. In addition, the industrial application feasibility of surveyed ketone absorbents is also discussed.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Kui Wu,Youliang Guan,Zujin Yang,Hongbing Ji
The solid–liquid equilibrium of isophthalonitrile (IPN) in 16 solvents (methanol, ethanol, n-propanol, isopropanol, acetone, ethyl acetate, acetonitrile, chloroform, cyclohexanone, cyclopentanone, methyl acetate, ethyl formate, 2-pentanone, tetrahydrofuran, toluene, and diethyl ether) was measured by using a static equilibrium method at temperatures T = 273.15–324.75 K under atmospheric pressure. The results demonstrated that the solubility of IPN in these 16 monosolvents increased with increasing temperature. The largest solubility values of IPN were found in cyclopentanone, and the lowest were in isopropanol. The values of solubility in ketones were much larger than those in esters and alcohols. In alcohols, the solubility ranked as methanol > ethanol > n-propanol > isopropanol, and the sequence was identical to that of the solvent polarities. The polarity of the solvent is an important factor influencing the solubility profiles of IPN in alcohols, despite that the conclusion is not supported by other kinds of solvents studied. Moreover, the Apelblat equation, λh equation, Wilson model, and nonrandom two-liquid model were used to correlate the experimental values. The calculated values of four models all provided good fitting results with the experimental data, and the values of root-mean-square deviation and relative average deviation (RAD) were no more than 6.84 × 10–4 and 6.84 × 10–3, respectively. Furthermore, the thermodynamic properties of the mixing process for IPN in selected solvents were calculated, that is, mixing Gibbs energy (ΔmixG), molar enthalpy (ΔmixH), and molar entropy (ΔmixS). The results indicated that the mixing process of IPN was a spontaneous and entropy-driven process. The solid–liquid equilibrium data and solution thermodynamics would be helpful for the synthesis and purification of IPN in the industry.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Yajun Li,Chuanli Lu,Ruirong Chen,Kui Wu
The solubility of 1,4-dicyanobenzene (DCB) in 17 neat solvents, that is, methanol, ethanol, n-propanol, isopropanol, acetone, ethyl acetate, ethyl formate, methyl acetate, cyclohexanone, cyclopentanone, tetrahydrofuran, 2-butanone, acetonitrile, chloroform, 2-pentanone, dichloromethane, and diethyl ether, was measured via a gravimetric method from 272.95 to 324.15 K under ambient pressure. Within the experimental temperature range, the mole fraction solubility of DCB increased with the rising temperature in all selected solvents, and the order of magnitude is cyclopentanone > dichloromethane > cyclohexanone ≈ tetrahydrofuran > chloroform > (acetone, 2-butanone) > 2-pentanone ≈ methyl acetate > ethyl formate > ethyl acetate > acetonitrile > diethyl ether > methanol > ethanol > n-propanol > isopropanol. The solubility of DCB in ketones was much higher than that in ethers and alcohols. The Wilson model, nonrandom two-liquid model, Apelblat equation, and λh equation were employed to mathematically express the solid–liquid phase equilibrium data of DCB. The maximum values of the root-mean-square and relative average deviations were 9.83 × 10–5 and 5.21 × 10–3, respectively, which indicated that good correlation was recorded between the experimental and calculated data. The dissolution enthalpy, entropy, and Gibbs free energy were calculated on the basis of thermodynamic relations and the Wilson model, which revealed that the dissolution of DCB was a spontaneous and endothermic process.
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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.
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COMPUTERS AND ELECTRONICS IN AGRICULTURE
·
2020
·
IF 3.858
Chengyu Zheng,Zhenhe Wang,Jing Zhang,Jun Wang,Jianli Zhong,Yongwei Wang
Platycladus orientalis plants in China are experiencing a serious problem with wood-boring beetles, but conventional physical detection methods cannot perform well due to hidden larvae and less obvious symptoms in the early infestation. In this study, the volatile organic compounds (VOCs) of P. orientalis were investigated using gas chromatography-ion mobility spectrometry (GC-IMS) to identify its internal infestation. An image-based evaluation method of the degree of internal wood damage was proposed, the principal component analysis (PCA) based on specific markers was applied for natural clustering of samples, and unsupervised learning approaches based on specific markers and automatically located peaks were used to create predictive models for sample classification. The results showed that the herbivore-induced plant volatiles (HIPVs) of P. orientalis samples had two main characteristics compared with undamaged plants. One was the emergence of several compounds such as C 3 -C 6 ketones, aldehydes, and alcohols, while the other was the obvious content variation of several monoterpenes and their derivatives. The classification models based on specific markers and automatically located peaks could correctly classify at least 89.5% and 87.9% of the samples, respectively. In a word, these results proved that GC-IMS based approaches combined with different feature extraction methods have the potential to identify the internal infestation of wood-boring beetles in P. orientalis .
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