JOURNAL OF CHEMICAL THERMODYNAMICS
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2012
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IF 2.422
Tianfei Zhang,Hengde Li,Weigang Zhang,Kazuhiro Tamura
(Liquid + liquid) equilibrium (LLE) data for {water (1) + methanol (2) + β-citronellol (3)} and {water (1) + ethanol (2) + β-citronellol (3)} ternary systems at T = (283.15, 298.15, and 313.15) K are reported. The immiscible region of (water + methanol + β-citronellol) system was found to be larger than that for the ethanol system at the same temperature. The effect of the temperature on the ternary (liquid + liquid) equilibria was examined and discussed. The experimental (liquid + liquid) equilibrium data have been satisfactorily represented by using extended UNIQUAC and modified UNIQUAC models.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2015
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IF 2.679
Hengde Li,Yongtao Han,Cheng Huang,Chufen Yang
On this paper, experimental (liquid + liquid) equilibrium (LLE) results are presented for systems composed of β-citronellol and aqueous 1-propanol or acetone. To evaluate the phase separation properties of β-citronellol in aqueous mixtures, LLE values for the ternary systems (water + 1-propanol + β-citronellol) and (water + acetone + β-citronellol) were determined with a tie-line method at T = (283.15, 298.15, and 313.15 ± 0.02) K and atmospheric pressure. The reliability of the experimental tie-lines was verified by the Hand and Bachman equations. Ternary phase diagrams, distribution ratios of 1-propanol and acetone in the mixtures are shown. The effect of the temperature on the ternary (liquid + liquid) equilibria was examined and discussed. The experimental LLE values were satisfactorily correlated by extended UNIQUAC and modified UNIQUAC models.
研究领域:
化学工程
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热力学
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DOI
高影响因子
INFLAMMOPHARMACOLOGY
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2024
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IF 4.6
Iqbal Urooj,Malik Abdul,Sial Nabeela Tabassum,Mehmood Malik Hassan,Nawaz Shoaib,Papadakis Marios,Fouad Dalia,Ateyya Hayam,Welson Nermeen N.,Alexiou Athanasios,Batiha Gaber El-Saber
Background The current study aimed to evaluate the anti-inflammatory, anti-oxidant, and pronounced gastro-protective activities of β- Citronellol using in vitro , in vivo assays and in silico approaches. Methods In vitro assays, denaturation of bovine serum albumin, egg protein, and human Red Blood Cells (RBCs) membrane stabilization were performed, using Piroxicam as standard. For in vivo assessment, Histamine (0.1 ml from 1% w/v) and Formaldehyde (0.1 ml from 2% v/v) were used to mediate inflammation. In silico molecular docking and network pharmacology were employed to probe the possible target genes mediating gastroprotective effect of β-Citronellol at 25, 50, and 100 mg/kg, using indomethacin-induced (25 mg/kg i.p) gastric ulcer in rats. Moreover, Gastric tissues were evaluated for morphological, histopathological, and bio-chemical analysis of PGE 2, COX-I, COX-II, 5-LOX, eNOS, ICAM-1, oxygen-free radical scavengers (SOD, CAT), and oxidative stress marker (MDA). Results β - Citronellol prevented denaturation of proteins and RBCs membrane stabilization with maximum effect observed at 6,400 µg/mL. Citronellol decreased rat’s paw edema. Network pharmacology and docking studies revealed gastro-protective potential of Citronellol possibly mediated through arachidonic acid pathways by targeting COX-I, COX-II, PGE 2 , and 5-LOX. Citronellol reduced the ulcer indices, and histopathological changes. Further, β - Citronellol (50 and 100 mg/kg) increased gastric PGE 2, COX-1, and eNOS; while suppressing COX-2, 5-LOX and ICAM-1. Citronellol markedly enhanced the oxidative balance in isolated rat stomach tissues. Conclusions The anti-inflammatory, anti-oxidant, and gastro-protective effects of β - Citronellol against indomethacin-induced gastric ulcer model in rats through mediating COX-I, COX-II, PGE 2, 5-LOX, eNOS, and ICAM-1 inflammatory markers. Graphical abstract
研究领域:
药理学
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炎症
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胃肠病学
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分子生物学
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生物化学
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DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2025
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IF 5.1
Helei Yang,Pei Li,Jinfu Zhang,Zhiguo Zhu,Hua Zhou,Zhenhe Wang,Xia Sun
A portable, low-cost, and efficient sensing strategy is developed for real-time, non-destructive monitoring ammonia (NH 3 ) released to evaluate the shrimp spoilage. In this study, a colorimetric sensing hydrogel with ammonia-responsive properties is prepared by incorporating Cu 2+ into sodium alginate hydrogel. The sensor exhibits a detection limit of 1.19 ppm for NH 3 and a response time of approximately 10 min, demonstrating good sensitivity. The color changes of the colorimetric ammonia sensor are captured with a smartphone and its response values are analyzed via software. When monitoring NH 3 accumulation in shrimp stored at 4 °C, the colorimetric hydrogel shows a color change from light green to dark blue, with results indicating a positive correlation between color variation and TVB-N value changes in shrimp meat. This study demonstrates the great potential of colorimetric hydrogel gas sensors in the field of food safety supervision.
研究领域:
食品安全
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传感器与生物传感器
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食品质量监控
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材料科学
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分析化学
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DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2026
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IF 6.2
Yao Wang,Junhua Qiu,Chengwei Wang,Ruiyu Yang,Fuyou Guo,Tian Li,Shili Li,Lei Yang,Wei Ding
Plant-derived terpenoids are essential secondary metabolites exhibiting broad-spectrum antibacterial properties. However, the bioactivities of terpenoids against Ralstonia solanacearum remain unexplored. Herein, the bioactivities of 30 terpenoids against R. solanacearum were assessed, and trans-anethole (TAN) was identified as a potent antibacterial agent with a minimum inhibitory concentration and minimum bactericidal concentration of 50 and 75 mg/L, respectively. TAN was low-toxic to silkworms, earthworms, seeds, and E. coli. Furthermore, TAN (>25 mg/L) significantly impeded the R. solanacearum growth, blocked ATP and exopolysaccharide (EPS) synthesis, caused DNA damage and cell rupture, and affected swimming motility and biofilm formation, and suppressed expressions of related genes. Compared with thiodiazole copper, and ethylicin, 100 mg/L TAN had a significantly greater control efficiency in both greenhouse and field tests. Importantly, TAN enhanced the abundance of the beneficial bacteria Bacillus and Sphingomonas. These findings highlight TAN as a potential bacterial wilt control agent.
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2026
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IF 10.4
Xuewei Jia,Qingdan Yan,Yuan Gao,Yanchong Qin,Xueming Zhang,Liming Guo,Xiaoheng Ma,Jun Hu,Chunping Xu,Dongliang Li,Tianxiao Li
Aroma is a comprehensive sensory effect formed by the complex interaction of various volatile molecules, but there is still lack of effective methods for revealing the interactions of aroma compounds. In this study, totally 24 aroma-active compounds were identified from essential oils of Magnolia biondii , and were classified into spicy/woody and floral/fruity groups. Cluster analysis of molecular docking energies suggested the presence of distinct binding patterns. Ten key aroma compounds were identified through ROAV analysis and omission tests. Sensory interaction analyses indicated that the cross-category combinations exhibited mainly additive (50%) or masking effects (45.8%), and only β-pinene and linalool showed strong synergistic effect. It was found that structural complementarity was highly associated with interaction effects, and spicy/woody and floral/fruity compounds tended to bind to the TM3-TM5-TM6 and TM2-TM3 regions of OR1A1, respectively. A novel proposed method, binding energy ratio (RBE), was established to predict sensory interactions from dual-ligand docking data. Download: Download high-res image (204KB) Download: Download full-size image
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高影响因子
Journal of Materials Chemistry B
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2025
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IF 5.7
Jiahao Ling,Chu-Ming Pang,Yingxin Tan,Liangzhi Hong
Antibacterial photodynamic therapy offers a promising approach to combating both susceptible and multidrug-resistant pathogens. However, conventional photosensitizers have limitations in terms of poor binding specificity and weak penetration for pathogens. In this study, we developed synergistic photobactericidal polymers that integrate hydrophilic toluidine blue O (TBO) with the lipophilic penetration enhancer citronellol (CT). The CT-containing monomer was copolymerized with glycidyl methacrylate, and then TBO was introduced via the epoxy group's ring-opening reaction. By combining the cationic charge and singlet oxygen (1O2) generation abilities of TBO with citronellol's membrane disrupting ability, the resulting copolymers have enhanced antimicrobial efficacy against Gram-positive, Gram-negative, and multidrug-resistant bacteria. CT not only enables the polymer to self-assemble and enhances the interaction between the polymer and bacteria, but also promotes the accumulation of TBO within cells by improving membrane permeability. 1O2 generated in specific subcellular regions maximize photodynamic therapy's therapeutic potential. Furthermore, these copolymers can be used to develop light-activated antimicrobial polydimethylsiloxane that prevents bacterial adhesion and enables on-demand disinfection.
研究领域:
抗菌材料
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光动力疗法
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高分子化学
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生物医学工程
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传染病学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Sustainable Food Systems
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2025
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IF 3.1
Huifang Liu,Jianmei Yao,Rongxiu Yin,Chiyu Ma,Lulu Li,Wen Yang,Zhiwei Lei
Introduction: Tea gray blight disease is a major leaf disease in tea plants, significantly reducing tea quality and yield. Plants are rich in bioactive compounds that are safe, non-toxic, and biodegradable. In this study, we evaluated the antifungal activities and mechanisms of 11 plant extracts against N. ellipsospora.Methods: This study evaluated the antifungal activity of 11 plant extracts against N. ellipsospora of tea gray blight disease and systematically examined the impacts of osthole and carvacrol on the mycelial morphology, mycelial weight, cell microstructure, membrane permeability, various biochemical substrate levels and related gene expression levels of N. ellipsospora.Results: The results showed that carvacrol and osthole exhibited significant antifungal effects among 11 plant extracts with EC50 values of 24.40 and 9.38 mg/L, respectively. Further research demonstrated that carvacrol and osthole significantly inhibited mycelial growth, reduced lesion areas on tea leaves, and markedly affected mycelial morphology and ultrastructure. Observations of mycelial morphology and ultrastructure revealed that carvacrol and osthole caused shrinkage and distortion of the mycelial surface, damage to cell wall and membrane, and disorganization of cellular organelles. Particularly carvacrol and osthole significantly increased chitinase activity, inhibited β-1,3-glucanase activity, and regulated the expression of genes encoding these enzymes.Discussion: The findings indicated that carvacrol and osthole could inhibit the growth of N. ellipsospora by disrupting the integrity of the cell wall and membrane and interfere with energy metabolism. This study would provide a theoretical basis for the development of novel plant-based fungicides.
研究领域:
植物学
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微生物学
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生物化学
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农业科学
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
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2025
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IF 9.8
Yue Wang,Jianing Li,Tingting Zhu,Yiran Li,Jinyu Yang,Tingting Ma,Yulin Fang,Xiangyu Sun
Sub-regional characteristic differentiation is crucial for development of wine regions, particularly for emerging regions. This study aims to identify and quantify the key aroma-active compounds and to analyze the aroma characteristics in Marselan wines from different Ningxia sub-regions using sensomics methods and the rate-all-that-apply approach. By employing GC × GC-qTOFMS and GC-O, we comparatively evaluated the contributions of the aroma-active compounds from four sub-regions. Fifty-three aroma-active compounds were identified. Seven compounds were important contributors to the fruity aroma. The omission experiments further confirmed the important contribution of ethyl hexanoate and β -damascenone to the floral and fruity characters. Yinchuan was characterized by its floral and fruity notes and methyl octanoate and ethyl octanoate were the main contributors. Qingtongxia and Yongning were characterized by Sweet spice , driven by nonanal and 4-methyl-1-pentanol. The differences in aroma profiles and the chemical basis across the sub-regions of Ningxia provide compelling evidence reinforcing the intra-regional micro- terroir.
研究领域:
食品科学
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葡萄与葡萄酒工程
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分析化学
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风味化学
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农业地理
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2024
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IF 8.5
Longzhu Zhou,Yimeng Ren,Yujie Shi,Shijie Fan,Liyuan Zhao,Miaomiao Dong,Jing Li,Youyou Yang,Yanan Yu,Qingyu Zhao,Junmin Zhang,Chaohua Tang
Lipids are vital precursors to beef aroma compounds, but the exact lipid molecules influencing aroma generation remain unconfirmed. This study employs gas chromatography–olfactometry–mass spectrometry and absolute quantitative lipidomics to identify beef's aroma and lipid profiles and to examine lipid alterations post-thermal processing. The aim is to understand the role of lipids in aroma generation during beef's raw-to-cooked transition. Eighteen key aroma compounds were identified as significant contributors to the aroma of beef. 265 lipid molecules were quantified accurately, and we found that triglycerides containing C18:1 or C18:2 chains, such as TG(16:0_18:1_18:1), TG(16:0_18:1_18:2), TG(16:0_16:1_18:1), as well as phosphatidylcholine and phosphatidylethanolamine containing PC(16:1e_20:4), PC(16:0e_20:4), PC(18:2e_18:2), and PE(16:1e_20:4), played important roles in the generation of key aroma compounds in beef. C18:1, C18:2, C18:3, and C20:4 were key substrates for the formation of aroma compounds. In addition, lysophosphatidylcholine and lysophosphatidylethanolamine containing unsaturated fatty acid chains may serve as important aroma retainers.
研究领域:
食品科学
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分析化学
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生物化学
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产品关联
DOI
PubMed
高影响因子
Analytical Methods
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2025
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IF 2.6
Desen Su,Yunyun Zheng,Minmin Huang,Ziqiang Chen,Lisong Chen,Meizhen Chen,Qinghua Yao
Depending on the manufacturing process, Tieguanyin tea (TGY) is classified into three main groups, light flavor type (LFT), heavy flavor type (HFT), and stale flavor type (SFT). However, the compositions and contents of volatile compounds among TGY types were still unclear. This study aimed to develop an efficient method for the nonselective determination of volatile compounds in teas via direct-headspace injection coupled with gas chromatography mass spectrometry (DHI-GC-MS), and to perform a comprehensive comparison among these teas. One hundred and twelve volatile compounds belonging to 9 classes were identified. Among them, 33 common volatiles from 4 categories (aldehydes, alcohols, ketones, and acids) were the dominant volatiles and accounted for 71.5%, 73.0%, and 71.8% of the total amount in LFT, HFT, and SFT, respectively. E-Nerolidol, ethanol, acetic acid, and some volatiles with five and six-carbon chains were the key chemicals to distinguish three different TGY teas. With PLS-DA analysis, distinct differences among different groups were observed. The results generated from this study may offer valuable insights for better grading of TGY teas.
研究领域:
食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
Food Chemistry-X
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2024
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IF 6.5
Yujiao Cheng,Leng Han,Linzi Shao,Hua Wang,Zheng Guo,Guijie Li
Pomelo flowers emit a strong fragrance and give aromatic odors. Volatile compounds from pomelo flowers were analyzed at three developmental stages and in the main organs by molecular sensory science. A total of 134 volatiles including 25 odorants, were analyzed by gas chromatography–mass spectrometry/pulsed flame photometric detector (GC–MS/PFPD) and multidimensional GC–MS/olfactory (MDGC–MS/O). The total volatile content varied among pomelo flowers at different developmental stages (stage-III > stage-II > stage-I) and among different organs of pomelo flowers (petal > pistil > stamen). Linalool was an important odorant with a high OAV, and floral/fruity comprised the predominant aroma profile. Four odorants, ethyl 2-methylbutanoate, linalool, β-myrcene, and 2-butenal, were selected based on variable importance in projection (VIP) values and contributed mainly to the discrimination of pomelo flowers at three different developmental stages. Linalool, β-myrcene, d -limonene, and ethyl hexanoate were potential markers for evaluating flavor differences in pomelo floral organs.
研究领域:
食品科学
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农业化学
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植物生理学
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分析化学
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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）