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ENERGY & FUELS · 2025 · IF 5.3

Development of Jet Fuel Components with Ultralow Freezing Points from Biomass-Derived Compounds via Claisen Condensation

Wuyu Wang,Xuelai Zhao,Yanyan Cui,Xinghua Zhang,Lungang Chen,Qi Zhang,Longlong Ma

Jet fuels must simultaneously meet stringent requirements for energy density and freezing point to ensure safe operation under extreme flight conditions. The common technical route of biojet fuel is hydrodeoxidation after the platform molecule C–C coupling. The branched long-chain alkanes synthesized from biomass-derived C5–C6 esters and ketones platform molecules can meet the performance requirements of jet fuel, via the Claisen condensation as the C–C coupling step. The acetone-derived methyl isobutyl ketone (MIBK) and methyl pivalate were efficiently converted to C11 fuel precursor with branched chain structure over potassium tert-butoxide (t-BuOK) in N,N-dimethylformamide solution. MIBK was fully converted at room temperature for 7 h, with a 95% yield of C11 oxygenated compounds. Under the same conditions, a series of C10–12 oxygenated compounds with a yield around 80% could be synthesized from methyl pivalate and other ketones. In addition, the oxygenated compounds generated alongside the Claisen condensation reaction could serve as jet fuel precursors, thereby ensuring high atomic economy of ketones. After hydrodeoxygenation, these oxygenated precursors are transformed into isomeric alkanes with freezing points below −100 °C, meeting and even surpassing aviation fuel standards. Importantly, the mild conditions, high selectivity, and compatibility with a wide range of ketone feedstocks indicate the route’s strong industrial application potential for large-scale production of ultralow freezing biojet fuel for extreme aviation environments.

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Foods · 2025 ·Vol. 14 ·期 19 ·3363 · IF 5.1

The Fermentation Mechanism of Pea Protein Yogurt and Its Bean Odour Removal Method

Xiaoyue Zhang,Guozhi Ji,Yan Zhao,Bingyu Chen,Wenhui Li,Zimeng Guo,Shan He,András Koris,Xuchun Zhu,Zhishen Mu,Hongzhi Liu

Pea protein yogurt (PPY), as an alternative to traditional dairy yoghurt, has the advantages of being a green raw material, lactose cholesterol-free, and adaptable to the needs of lactose-intolerant people. PPY was prepared by fermenting a mixture of pea protein and water (1:10,w/v) supplemented with 5% fructose for 10 h after heat sterilisation. During fermentation, lactic acid bacteria metabolise pea protein to produce aldehydes and other aromatic compounds, imparting a unique sweet–sour balance and mellow flavour. However, issues such as weak gel formation and prominent soybean-like off-flavours severely restrict the development and consumer acceptance of PPY. In this study, five fermentation systems were systematically investigated to elucidate the fermentation mechanisms of pea yoghurt and explore effective methods for eliminating undesirable soy flavours. The results indicated that hydrophobic interactions and disulfide bonds are the predominant forces driving gel formation in PPY. Additionally, the protein content increased by 0.81 g/100 g following fermentation. A total of 43 volatile flavour compounds—including aldehydes, alcohols, acids, ketones, and furans—were identified, among which the concentrations of hexanal and 2-pentylfuran, known markers for soybean off-flavour, significantly decreased. Furthermore, high-temperature and high-pressure treatments (121 °C, 3 min) demonstrated superior effectiveness in reducing soybean-like flavours. Although the high-temperature and high-pressure treatment, double-enzyme hydrolysis, and flavour-masking methods operate through distinct mechanisms, their flavour profiles converged, displaying substantial deodorisation effects and synergistic interactions. These findings provide a theoretical basis and processing parameters for flavour modulation in PPY; however, further formulation optimisation is required to enhance its nutritional and textural properties. PPY shows promise as a potential alternative to conventional dairy products in the future.

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Foods · 2025 ·Vol. 14 ·期 19 ·3381 · IF 5.1

Volatile Fingerprinting and Regional Differentiation of Safflower (Carthamus tinctorius L.) Using GC–IMS Combined with OPLS-DA

Jiaqi Liu,Hao Duan,Li Wang,Rui Qin,Jiao Liu,Hong Liu,Shuyuan Bao,Wenjie Yan

This study aimed to systematically characterize the volatile organic compound (VOC) profiles of safflower (Carthamus tinctoriusL.) from eight major production regions, providing a scientific basis for quality evaluation and geographical traceability. VOC profiling was conducted using gas chromatography–ion mobility spectrometry (GC–IMS), and regional differences were assessed through multivariate statistical analyses, including Principal Component Analysis (PCA), Orthogonal Partial Least Squares Discriminant Analysis (OPLS–DA), Euclidean distance, and hierarchical clustering. Key differential compounds were identified by variable importance in projection (VIP) and relative odor activity value (ROAV) analyses, with aldehydes and esters emerging as the primary contributors to the discrimination of samples across regions. VOC fingerprints of safflower were further established, and a combined VIP–ROAV strategy was proposed for the screening of characteristic compounds. These findings provide a reliable reference for safflower quality control and offer practical guidance for its geographical authentication in the food industry.

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ACS Food Science & Technology · 2025 · IF 2.8

Insights into the Variation of VOCs in the Maillard Reaction Products Derived from Chinese Black Truffle (Tuber indicum) Enzymatic Hydrolyzates Using E-Nose, HS-SPME-GC-MS, HS-GC-IMS Coupled with Chemometric Approaches

Lin Yuan,Yiye Luo,Shuo Zhang,Suxuan Li,Zhichao Zhang,Xiaoyu Chen,Yingjie Xu,Lusi Ouyang,Zhiyong Wu

To enhance the aroma complexity and commercial potential of Chinese black truffle (Tuber indicum), enzymatic hydrolyzates (EH) were subjected to Maillard reaction (MR) with xylose/cysteine under varying temperatures (90–130 °C). Volatile organic compounds (VOCs) in MR products (MRPs) were characterized using an E-nose, HS-SPME-GC-MS, and HS-GC-IMS coupled with chemometrics (PCA, OPLS-DA). MR significantly increased VOC diversity (216 compounds identified vs 82 in EH), with sulfur-containing compounds and heterocyclics emerging exclusively in MRPs. Temperature critically influenced VOC profiles: 130 °C (MRPs130) yielded the highest VOC abundance and key odorants, as confirmed by the odor activity value (OAV) analysis. Sankey diagrams visualized a flavor shift from mushroom/earthy notes in EH to enhanced fruity, green, and roasted nuances in MRPs130. This strategy effectively improves the Chinese truffle aroma, offering theoretical and practical insights for value-added processing.

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JOURNAL OF SEPARATION SCIENCE · 2025 ·Vol. 48 ·期 2 ·e70090 · IF 2.8

Quality Consistency Evaluation of Chemical Composition and Pharmacology of Pheretima aspergillum Dispensing Granules and Traditional Decoction Based on HPLC, GC-IMS, and Animal Experiments

Han Li,Xiaoming Wu,Yan Miao,Fengyu Dong,Xinjing Gui,Panpan Wang,Xuelin Li,Ruixin Liu

This study investigates the consistency of quality between the traditional decoction (TD) of Pheretima aspergillum and its dispensing granule decoction (DGD) by examining their chemical composition and antithrombotic efficacy. We first determined the nucleoside components, protein content, and volatile compounds in 10 batches of TD and 9 batches of DGD sourced from three manufacturers using high-performance liquid chromatography (HPLC), UV–vis spectrophotometry, and gas chromatography ion mobility spectrometry (GC-IMS). Next, we assessed antithrombotic efficacy by measuring the relative length of tail thrombosis and calculating the thrombus inhibition rates at 24 and 48 h. Our comprehensive analysis revealed that the concentrations of hypoxanthine, uridine, inosine, adenosine, and proteins in TD were significantly higher than those in DGD. Moreover, the types and concentrations of volatile compounds in TD and DGD exhibited substantial differences, with 19 volatile compounds identified as differentially present between the two decoctions. Despite these compositional differences, both decoction types demonstrated equivalent antithrombotic efficacy. Overall, the quality of DGD from manufacturers A and B aligned closely with that of TD. However, TD exhibited a higher overall quality compared to DGD, while both decoctions maintained consistent antithrombotic efficacy.

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Frontiers in Chemistry · 2025 · IF 4.2

Quality identification of Amomi fructus using E-nose, HS-GC-IMS, and intelligent data fusion methods

Pan-Pan Zhang,Xin-Jing Gui,Xue-Hua Fan,Han-Li,Hai-Yang Li,Xiao-Peng Li,Feng-Yu Dong,Yan-Li Wang,Jing-Yao,Jun-Han Shi,Rui-Xin Liu

Amomi fructus (AF) has been used for both medicinal and food purposes for centuries. However, issues such as source mixing, substandard quality, and product adulteration often affect its efficacy. This study used E-nose (EN) and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) to determine and analyze the volatile organic compounds (VOCs) in AF and its counterfeit products. A total of 111 VOCs were detected by HS-GC-IMS, with 101 tentatively identified. Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA) identified 47 VOCs as differential markers for distinguishing authentic AF from counterfeits (VIP value >1 and P < 0.05). Based on the E-nose sensor response value and the peak volumes of the 111 VOCs, the unguided Principal Component Analysis (PCA), guided Principal Component Analysis-Discriminant Analysis (PCA-DA), and Partial Least Squares-Discriminant Analysis (PLS-DA) models were established to differentiate AF by authenticity, origin, and provenance. The authenticity identification model achieved 100.00% accuracy after PCA analysis, while the origin identification model and the provenance identification model were 95.65% (HS-GC-IMS: PLS-DA) and 98.18% (HS-GC-IMS: PCA-DA/PLS-DA), respectively. Further data-level fusion of E-nose and HS-GC-IMS significantly improved the accuracy of the origin identification model to 97.96% (PLS-DA), outperforming single-source data modeling. In conclusion, the intelligent data fusion algorithm based on E-nose and HS-GC-IMS data effectively identifies the authenticity, origin, and provenance of AF, providing a rapid and accurate method for quality evaluation.

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CyTA-Journal of Food · 2025 · IF 1.7

The effect of cooking approaches on the flavor, nutrition and antioxidant activity of asparagus

Chunyan Shen,Yaling Huang

After cooking, asparagus develops unique flavor boosting its sensory appeal. This study explored flavor, nutrition, and antioxidant activity in asparagus after deep-frying, stir-frying, steaming, boiling, and air-frying. Gas chromatography ion mobility spectrometry (GC-IMS) was employed to identify the characteristic volatile organic compounds (VOCs) in the asparagus exposed to different processing methods. The sensory evaluation indicated that deep-frying enhanced the sweety, green, and fruity flavors in the asparagus. Boiling and steaming highlighted green notes, while air-frying accentuated the sweetness, fruity, and sulfury aromas. Deep-frying and air-frying increased the protein (50.8% and 52.3%), vitamin C (14.1% and 39.7%), calcium (82.0% and 103.9%), magnesium (44.5% and 62.0%), and iron (23.7% and 36.8%) levels. Moreover, deep-frying best preserved the antioxidant capacity of the asparagus, followed by steaming. The results help consumers in selecting appropriate cooking methods and provide a theoretical basis for the techniques used to evaluate the flavor and nutritional value of asparagus.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Investigation of the Dissolution Behavior of Diludine in Monosolvents: Solid–Liquid Equilibrium Determination, Model Correlation, and Thermodynamic Analysis

Yajun Li,Aoxiang Xu,Jili Zheng,Xianhe Deng,Can Hu,Jun Zhu,Kui Wu

Diludine and its derivatives are important precursors widely employed in the design and synthesis of dihydropyridine calcium channel blocker (CCB) drugs. The solid–liquid-phase equilibrium data and dissolution properties of diludine can provide fundamental thermodynamic data for the synthesis, separation, and further study of CCBs in the industry as well as the academic arena. The solubility of diludine in 16 pure solvents, including eight alcohols, three ketones, three esters, toluene, and acetonitrile from 272.15 to 323.65 K under atmospheric pressure, was measured using the gravimetric method. The solid–liquid equilibrium curve of diludine indicated an increasing trend with an increase in the temperature. The solvent polarity is a critical factor influencing the solubility behavior, but it is not the only one. Four thermodynamic models (i.e., the modified Apelblat model, λh model, NRTL model, and Wilson model) were used to correlate the solubility data. The Wilson model showed the most satisfactory agreement. Furthermore, the dissolution thermodynamic properties (ΔdisS, ΔdisH, and ΔdisG) of diludine in selected solvents were estimated on the basis of thermodynamic relations and the regressed Wilson model.

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JOURNAL OF MOLECULAR LIQUIDS · 2025 · IF 5.2

Experimental study on binary (solid + liquid) equilibrium and solubility analysis of N-fluorobenzenesulfonimide in 16 organic solvents at temperatures ranging from 273.35 to 322.85 K under 101.3 kPa

Bin Ou,Xiaofang Li,Lemei Huang,Xiaobing Liu,Kui Wu

The solubility of N-fluorobenzenesulfonimide in sixteen pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, ethyl acetate, 2-butanone, 2-pentanone, acetone, toluene, acetonitrile, ethyl formate, and methyl acetate, was measured using the gravimetric method in the temperature range of 273.35 K to 322.85 K under 101.3 kPa. Five thermodynamic models, namely the modified Apelblat equation, the λh equation, the Non Random Two Liquid (NRTL) equation, the Wilson equation and the Yaws model, were applied to correlate the measured solubility data. The correlation results were evaluated using relative mean deviation (RAD) and root mean square deviation (RMSD). The results indicate that the molar solubility increases with increasing temperature in all sixteen solvents, and all five relevant models can provide satisfactory results. A preliminary evaluation of the potential for chemical bond formation between solute and solvent was conducted by examining the electrostatic potential energy surface of the solute. Density functional theory (DFT) was utilized to calculate the interaction between solute and solvents during the dissolution process. The KAT-LSER model was introduced to analyze solvent effects, and the results showed that hydrogen bond acidity is not conducive to dissolution, while hydrogen bond alkalinity, dipole interaction, and the ability of electron polarization to stabilize charges are conducive to dissolution. The thermodynamic properties of the mixture, such as enthalpy, entropy, and Gibbs free energy, were calculated, and the results showed that the dissolution process of N-fluorobenzenesulfonimide is spontaneous and favorable.

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BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS · 2015 · IF 2.297

A mechanistic study into the epoxidation of carboxylic acid and alkene in a mono, di-acylglycerol lipase

Xuping Wang,Qingyun Tang,Grzegorz Maria Popowicz,Bo Yang,Yonghua Wang

More and more industrial chemistry reactions rely on green technologies. Enzymes are finding increasing use in diverse chemical processes. Epoxidized vegetable oils have recently found applications as plasticizers and additives for PVC production. We report here an unusual activity of the Malassezia globosa lipase (SMG1) that is able to catalyze epoxidation of alkenes. SMG1 catalyzes formation of peroxides from long chain carboxylic acids that subsequently react with double bonds of alkenes to produce epoxides. The SMG1 is selective towards carboxylic acids and active also as a mutant lacking hydrolase activity. Moreover we present previously unobserved mechanism of catalysis that does not rely on acyl–substrate complex nor tetrahedral intermediate. Since SMG1 lipase is activated by allosteric change upon binding to the lipophilic–hydrophilic phase interface we reason that it can be used to drive the epoxidation in the lipophilic phase exclusively.

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