JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Hao Li,Fengyi Zhang,Qianlong Zhang,Hongjuan Li,Zhiying Wang,Chunli Li,Jing Fang
For some strongly non-ideal solution systems, there are often errors in predicting the phase equilibrium relationship of a multi-component system using the interaction parameters obtained by the regression of the phase equilibrium data of the binary system. The interaction parameters between the components obtained by directly determining the phase equilibrium of the multivariate system will bring the calculated values closer to the experimental values. Liquid–liquid equilibrium (LLE) data were determined for the system of n-butanol + n-pentanol + n-hexanol + water at 313.15, 323.15, and 333.15K under atmospheric pressure. LLE compositions were determined by gas chromatography. LLE data were correlated by the UNIQUAC model and the non-random two-liquid (NRTL) model. Both models were appropriate for describing the LLE of this quaternary equilibrium system. They provided accurate thermodynamic parameters for the phase equilibrium of C4–6 mixed alcohols in Fischer–Tropsch synthesis water.
研究领域:
化学工程
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热力学
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相平衡建模
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Food Chemistry-X
·
2025
·
IF 8.2
Wu Yang,Wu Qingyang,Zhou Ziwei,Deng Tingting,Sun Yun
Innovative Jinmudan black tea shows pronounced sweet aroma and taste, but the mechanisms by which volatile compounds enhance sweetness remain unclear. This study combined flavoromics, molecular modeling, and sensory analysis to identify key aroma compounds responsible for the sweetening sensory effect. HS-SPME-GC–MS and multivariate analysis characterized 93 sweet-related volatiles, of which 30 were screened by Partial Least Squares-Discriminant Analysis (PLS-DA). Six representative compounds covering major sweet-aroma subtypes were selected for in silico analysis. Molecular docking and dynamics revealed stronger and more stable binding of these volatiles to the sweet receptor T1R3 than to T1R2. Aroma addition tests using a low-sweetness Jinmudan black tea confirmed that five compounds enhanced perceived sweetness, with ( Z )-3-hexen-1-ol benzoate and 2-methyl-2-phenylethyl propanoic acid showing the greatest effects. These findings clarify aroma-taste interactions in innovative black tea and provide a reference for sweetness modulation in tea-based foods.
研究领域:
食品科学
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风味化学
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分子模拟
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感官科学
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茶叶科学
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BIORESOURCE TECHNOLOGY
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2025
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IF 9
Shengchao Xu,Wanting Ma,Junxiong Zhao,Huiyu Wang,Qifeng Wei,Shanshan Wang,Xiulian Ren
Lactic acid (LA) is a crucial platform chemical for biodegradable plastics, primarily produced via microbial fermentation. However, the conventional purification process via calcium salt precipitation generates substantial calcium sulfate waste. This study proposes a novel solvent extraction method using di-(2-ethylhexyl) phosphoric acid (P204) to extract calcium ions from calcium lactate, thereby releasing LA into the aqueous phase. Under multistage counter-current conditions, calcium extraction and stripping efficiencies exceeded 99.7 % and 98.5 %, respectively, yielding a high-purity CaCl 2 ·2H 2 O by-product instead of calcium sulfate. The process demonstrated broad applicability to calcium salts of weak organic acids (p K a > ∼3.40). Mechanistic studies revealed a 2:1:1 (P204:Ca:LA) coordination complex. Green chemistry assessment confirmed the process’s environmental sustainability and practical viability. This work presents an efficient strategy for LA production that avoids calcium sulfate waste, contributing to greener biorefinery processes.
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Nature Communications
·
2025
·Vol. 16
·期 1
·10347
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IF 15.7
Chu Xini,Li Jingguo,Wang Di,Gan Liyu,Liu Xu,Feng Zeyu,Yang Peng,Zhang Hongli,Xie Yifan,Wang Fei,Zou Gang
Optical active metal-organic frameworks (MOFs) with circularly polarized luminescence (CPL) functionalities, have recently gained extensive research interest. However, the luminescence dissymmetry factors ( g lum ) of these materials are generally small, and the lack of patterning ability for most optical active MOFs greatly hinders their practical applications. Herein, we report a strategy to design twisted-stacking MOF patterns with a high g lum (~0.4) and tailorable CPL performance by the combination of brush coating, bottom-up heteroepitaxial growth and twisted-stacking techniques. Specifically, two-dimensional (2D) programmable patterns of highly oriented MOF films could be achieved by the heteroepitaxial growth from pre-aligned Cu(OH) 2 nanowire (NW) templates. The oriented MOF patterns could be functionalized with fluorescent dyes, offering characteristic anisotropic photoluminescent response. After another similar highly oriented MOF layer was deposited on top of the above MOF/dye patterns (in a twisted fashion) as a phase retarder, a chiroptical response could be generated. This design not only allows the fabrication of arbitrary programmable optical active MOF patterns with enhanced g lum , but also enables precise regulation of CPL performance within the patterns, favoring the implementation of the miniaturized chiroptical devices, information encryption and storage.
研究领域:
材料科学
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光学材料
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纳米技术
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手性光子学
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信息安全
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Foods
·
2025
·Vol. 14
·期 24
·4290
·
IF 5.1
Huan Zhang,Liuyan Zheng,Kaixuan Zhu,Tianxu Liu,Lexuan Yang,Lijuan Ma,Xin Zhang,Lin Yuan,Liping Du
Alcohols and esters are core flavor-active constituents of Qingxiangxing Baijiu (QXB), yet ethanol concentration’s regulatory role in their thresholds and interactions remains unclear. Physicochemical analysis showed reduced-alcohol QXB (L-QX, 42%,v/v) had higher total acid (1.48 g/L) but lower total ester (1.52 g/L) than high-alcohol QXB (H-QX, 53%,v/v; 1.20 g/L total acid, 2.05 g/L total ester). Sensory evaluation (0–5 scale) revealed H-QX had higher fruity (3.6 vs. 2.0), grassy (3.2 vs. 1.8), and grainy (3.0 vs. 1.9) aroma scores, while L-QX showed higher sour (2.1 vs. 1.5) and lees (1.7 vs. 1.1) notes (p< 0.05). The quantification of gas chromatography-flame ionization detection (GC-FID) determined the concentrations of eight alcohols and esters in H-QX samples and identified that most flavor compounds had higher concentrations than L-QX samples. Three alternative forced-choice tests showed 53% ethanol elevated olfactory thresholds (OTs) of five compounds, with ethyl lactate (1.53-fold) and isopentanol (1.89-fold) vs. 42%. For 16 alcohol–ester binary mixtures, 12 pairs had OT ratios (53% vs. 42%) < 1, especially 3 pairs (e.g., n-propanol-ethyl acetate) < 0.5. OAV/S curve analyses indicated all 16 mixtures had masking effects, with 11 pairs stronger at 42%. Verification validated 53% ethanol mitigated masking, enhancing fruity/grassy aromas by 38.1%/25.0%. This study provides support for QXB dealcoholization flavor regulation.
研究领域:
食品科学
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风味化学
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感官分析
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酿造学
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食品加工
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2025
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IF 4.6
Shuge Yuan,Yahui Liu,Jinglin Yu,Ping Yang,Wei Yong,Zongxu Zhao,Tianyang Guo,Huanlu Song
The distinctive aroma of coffee is highly regarded by public, and influenced by many factors. To investigate the odor activities of volatile compounds and their formation pathways during coffee roasting, the coffee beans with four roasting degrees (i.e., raw, light, medium, and dark), four varieties (i.e., Robusta, Mandheling, Pink bourbon , and Bourbon pointu) and two sample matrixes (i.e., powder and brew) were analyzed by sensory evaluation and gas chromatography-olfactometry-mass spectrometry (GC-O-MS). Coffee mainly exhibited nutty, cocoa, smoky, floral, fruity, caramel, sour, and grassy odors. According to both relative content and relative odor activity value (rOAV), the odor compounds in two matrixes were compared, and odor-active compounds were confirmed. In combination of sensory results and rOAV, the coffee aroma characteristics were corresponded with odor-active compounds by partial least squares regression. Moreover, the precursors of odor compounds in different coffees were determined by ultra-high performance liquid chromatography–mass spectrometry (UHPLC-MS), and the formation pathways of odor compounds during coffee roasting were summarized into Lipid oxidation and degradation, Phenolic acid degradation, and Maillard reaction and Caramelization. The study offers guidance for selecting coffee varieties and processing to produce coffee for consumer satisfaction.
研究领域:
食品化学
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感官科学
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分析化学
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风味化学
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食品加工
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Foods
·
2025
·Vol. 14
·期 24
·4272
·
IF 5.1
Mengqi Wang,Yi Zhang,Yunqi Gao,Huanyu Zheng,Mingming Zheng
Ethyl butyrate is a typical flavor ester with pineapple-banana scents, but the poor yield from natural fruits limits its feasibility in food and fragrance industries. In this study, dendritic fibrous nano-silica (DFNS) was hydrophobically modified with octyl groups (DFNS-C 8 ) to immobilize Candida antarctica lipase B (CALB) for solvent-free esterification of ethyl butyrate. The immobilized lipase CALB@DFNS-C 8 , with the enzyme loading of 354.6 mg/g and the enzyme activity of 0.064 U/mg protein, achieved 96.0% ethyl butyrate conversion under the optimum reaction conditions where the molar ratio of butyric acid to ethanol was 1:3, with a reaction temperature and time of 40 °C and 4 h. Under the solvent-free catalytic reactions, CALB@DFNS-C 8 presented the maximum catalytic efficiency of 35.1 mmol/g/h and retained 89% initial activity after ten reuse cycles. In addition, the immobilized lipase can efficiently catalyze the synthesis of various flavor esters (such as butyl acetate, hexyl acetate, butyl butyrate, etc.) and exhibits excellent thermostability and solvent tolerance. A molecular docking simulation reveals that the hydrophobic cavity around the catalytic triad stabilizes the acyl intermediate and ensures the precise orientation of both acid and alcohol substrates. This work provides new insights into the sustainable production of flavor esters using highly active and recyclable immobilized lipases through rational carrier hydrophobization and structural confinement design.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Yang Liu,Pengsen Jiao,Tianlei Qian,Ye Sun,Tianle Zhu
Cooking fume exhaust components often suffer from performance degradation due to fouling adhesion, and superamphiphobic coatings exhibit excellent anti-fouling potential. However, the weak wear resistance and corrosion resistance of superamphiphobic coatings reduce their long-term effectiveness. In this study, a microskeleton-filler composite structural coating material was constructed, consisting of a cellulose@SiO 2 microskeleton (CE@SiO 2 ), chromium‑oxygen complex (Cr( OH , O ) n ) nanofillers, and a fluorinated layer. Cr( OH , O ) n -F endows the coating with excellent superamphiphobicity and corrosion resistance. The network topology of the CE@SiO 2 microskeleton endows the coating with self-similarity and disperses stress to protect the embedded nano-Cr( OH , O ) n particles, which makes the coating exhibit excellent anti-wear performance. This innovative design allows the CE@SiO 2 -Cr( OH , O ) n -F coating to retain its superamphiphobicity after a series of independent tests, including 250 m of sandpaper abrasion under a 1.6 kPa load, 16 min of water flow impact, and 72 h of immersion in separate strong acid (pH = 1) and strong alkali (pH = 13) solutions. These results demonstrate superior wear and corrosion resistance compared to other superamphiphobic materials. In addition, the coating demonstrates excellent resistance to oil mist deposition, self-cleaning performance, and antibacterial properties. For coatings stained by oil fouling, superamphiphobicity can be restored through simple cleaning. Combining these properties, the CE@SiO 2 -Cr( OH , O ) n -F coating material can be widely applied to the surfaces of non-food-contact cooking oil fume exhaust components in harsh environments, significantly reducing subsequent cleaning requirements.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2026
·
IF 6.7
Muxue Qin,Jingtao Zhou,Junyu Zhu,Bernard Ntezimana,Zehua Sun,Fuwei Guo,Jinjun Zhang,Youyue Zhang,Zhi Yu,Yuqiong Chen,De Zhang,Dejiang Ni
The effect of light on the aroma of green tea during the withering process is still unclear. The impact of yellow light withering on the aroma of steamed green tea was investigated. Results showed that yellow light irradiation enhanced the floral quality of the tea. Aroma dilution analysis was performed on the sample with optimal aroma under yellow light treatment (Y68) and its control (N68) using GC-O/MS, resulting in 49 aroma active compounds with flavor dilution factors ranging from 64 to 8192 were identified. Through odor activity value analysis as well as recombination and omission experiments, 8 and 7 key odorants were identified in Y68 and N68, respectively, with 5 differentiating metabolites. Addition experiments confirmed that the difference in floral intensity between Y68 and N68 was mainly caused by linalool and indole, while the differences in fresh aroma and tender aroma intensity were respectively attributed to (Z)-3-hexenol and dimethyl sulfide.
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INTERNATIONAL JOURNAL OF FOOD PROPERTIES
·
2026
·
IF 3.9
Nian Cao,Yubo Yang,Xiaoling Xiong,Bohan Zhang,Ping Xiang,Fan Yang
This pioneering study investigated the effects of sip volume on sensory perception and drinking comfort during the consumption of Jiangxiangxing Baijiu (JB). Six sip volumes (6, 9, 12, 15, 18, and 20 mL) were tested with 30 participants (15 males and 15 females). Results revealed gender-specific preferences: females tended to prefer sip volumes of 9–12 mL, while males were more likely to favor 18 mL. Using Temporal Dominance of Sensation (TDS) and Check-All-That-Apply (CATA) methods, it was found that oral sensations of sweetness and sauce flavor, as well as post-pharyngeal sensations of “smoothness,” “mellowness,” and “lingering aftertaste,” enhanced drinking comfort. In contrast, oral sensations of spiciness and bitterness, along with post-pharyngeal sensations of “pungency,” “thinness,” “blandness,” and “momentary aftertaste,” impaired comfort. Notably, females may place greater emphasis on oral perception, whereas males could focus more on post-pharyngeal sensations. A novel flavor analysis identified 20 key compounds that influence JB perception. The insights from this research provide valuable contributions to improving the drinking experience of JB.
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Nature Energy
·
2026
·
IF 70.1
Zhao Qiangqiang,Zhang Bingqian,Hui Wei,Gao Kun,Ji Hongpei,Sun Xiuhong,Feng Xiaopeng,Peng Cheng,Wang Kaiyu,Gao Caiyun,Zhang Chenyang,Wang Han,Zhang Qi,Su Zhenhuang,Wang Xiao,Wang Li,Pang Shuping,De Wolf Stefaan,Wang Kai
Incorporating two-dimensional (2D) perovskite phases at the interfaces of three-dimensional (3D) perovskite solar cells improves device performance. These 2D structures form in the bulk and at interfaces of the perovskite film by adding long-chain ammonium salts into the perovskite, but achieving them exclusively at the buried interface remains challenging. Here we sequentially graft thioglycolic acid and oleylamine onto SnO 2 nanoparticles. The strong chemical bond between thioglycolic acid and oleylamine ensures that cation exchange with formamidinium iodide, a perovskite precursor, occurs only during thermal annealing, creating a 2D/3D perovskite structure solely at the bottom interface. This localized 2D layer accelerates 3D phase formation, enhances perovskite crystallization and reduces defect concentration at the interface by over tenfold. The resulting solar cells achieve power conversion efficiencies of 26.19% (certified 26.04%, 0.09 cm 2 ), 23.44% (aperture area of 21.54 cm 2 , certified 22.68%) and 22.22% (aperture area of 64.80 cm 2 ), respectively.
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FOOD CHEMISTRY
·
2026
·
IF 10.4
Yujiao Cheng,Tianpeng Xiao,Jiying Zhang,Guowei Hu,Tiangang Lei,Guohua Li,Kelin Du,Qin Long,Yongrui He,Jun Wang,Min Zhang,Linhua Huang
Volatiles in orange juices from three new bud mutation varieties of Longleaf orange were investigated by gas chromatography–mass spectrometry (GC–MS) and multidimensional GC–MS/olfactory (MDGC-MS/O) combined with aroma extract dilution analysis (AEDA). The 103 volatiles (34 odorants) were identified, with concentration increasing as Xiaxiangmicheng (XXMC)>Changyexiangcheng (CYXC)>Zhongganmicheng (ZGMC). The XXMC had the highest number of odorants (31), followed by CYXC (28) and ZGMC (25). C10-hydrocarbons and -alcohols ( d -limonene, linalool, and geraniol), as well as C6-alcohol ((E)-3-hexen-1-ol), exhibited high flavor dilution (FD) values (≥64) and contributed to the fatty, citrusy, floral, and grassy odors in juice. Higher odor activity values of esters conferred stronger fruity note in XXMC, while the lower ester-to-aldehyde ratio in ZGMC failed to mask the undesirable odors from volatile sulfur compounds. Four potential flavor markers were screened to distinguish the three bud mutation varieties.These provide a theoretical basis for citrus variety evaluation and flavor improvement.
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危险品化学品经营许可证（带存储）