INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2026
·Vol. 27
·期 15
·6736
·
IF 5.6
Lei Tian,Kaixin Shi,Siyi Pan
Excessive exercise without adequate recovery can induce prolonged fatigue, accompanied by skeletal muscle inflammation, oxidative stress, and impaired repair. Bergamot essential oil (BEO), a citrus-derived volatile essential oil, has been reported to have anti-inflammatory and antioxidant activities, but its effects on exercise-induced prolonged fatigue remain unclear. This study investigated the fatigue-relieving effects of long-term inhalation of BEO and its major constituents in a rat model of prolonged exercise-induced fatigue, with emphasis on skeletal muscle regulation. Rats were subjected to progressive exercise loading and exposed daily to BEO or its main components, followed by behavioral, biochemical, histological, transcriptional, and protein analyses. BEO inhalation significantly improved swimming endurance and alleviated fatigue-related physiological disturbances. In skeletal muscle, BEO reduced IL-1β and IL-6 levels, attenuated transcriptional changes in NF-κB/NLRP3-related inflammatory markers, decreased MDA accumulation, and enhanced GSH-Px activity. BEO also modulated muscle repair-related markers by reversing the abnormal elevation of Myod1 and restoring Myog mRNA expression. These effects were accompanied by increased Igf1 expression, restored PI3K protein expression, enhanced PI3K phosphorylation, and increased inhibitory phosphorylation of GSK3β. Overall, BEO alleviated prolonged exercise-induced fatigue by attenuating skeletal muscle inflammation, oxidative stress, and repair-related dysregulation, supporting its potential as a non-oral aromatic intervention for fatigue recovery.
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FOOD SCIENCE AND BIOTECHNOLOGY
·
2026
·
IF 3.9
Yu Guofeng,Gao Yuan,Feng Yuan,Qin Yanchong,Li Tianxiao,Xu Chunping,Jia Xuewei,Gao Mingqi
Natural floral aromas are increasingly used in food systems and aroma-functional packaging, but their complex composition and instability limit practical application. This study developed an integrated analytical–computational–sensory strategy to identify key odorants in Chimonanthus praecox flowers for use in food-grade packaging. A total of 38 aroma-active compounds were identified via headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS–SPME–GC–MS). Molecular docking was employed as a screening approach, and binding energy–based clustering enabled the prioritization of odorants with high receptor affinity. Odor activity value (OAV) analysis highlighted nine key odorants, including linalool, ocimene, and methyl salicylate. Molecular docking and dynamics simulations showed π-mediated hydrophobic interactions are critical for odorant recognition and binding stability. Aroma recombination confirmed the importance of these odorants. The reconstructed aroma was successfully applied to food-grade kraft paper, showing high similarity to natural floral aroma. This work promotes the sustainable aroma-functional packaging in food applications.
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Scientific Reports
·
2026
·
IF 4.9
Wang Lei,Hu Hanlu,Sun Xiaoxia,Jiao Ziwei,Zhang Hao,Luo Weikang,Huang Xiaode
In this study, essential oil was extracted from lavender using steam distillation, and its chemical components were identified by gas chromatography-mass spectrometry (GC–MS). The active ingredients of lavender essential oil (LEO) and their corresponding targets were obtained from the STP, SEA, and TCMSP databases. The antibacterial activities of the active components in LEO were investigated against Escherichia coli , Staphylococcus aureus , Bacillus subtilis , and Candida albicans . The antibacterial efficacy was evaluated by measuring the diameter of the inhibition zone and the minimum inhibitory concentration (MIC). The results showed that 156 common targets were identified by intersecting the component targets of LEO and the host targets related to antibacterial activity. Topological analysis was performed using Cytoscape software, and 21 potential core targets were finally obtained through two rounds of screening based on topological indexes. Gene Ontology (GO) enrichment analysis revealed that these targets were mainly involved in biological processes such as transcriptional regulation, while Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis indicated their participation in 169 signaling pathways. Molecular docking results demonstrated that the core targets exhibited strong binding affinity with the four key components. In vitro antibacterial experiments verified that linalool, linalyl acetate, 1,8-cineole, and caryophyllene all showed favorable antibacterial activity. Combining network pharmacology, molecular docking, and in vitro antibacterial assays, this study clearly distinguished the direct antibacterial effect of lavender essential oil from its indirect anti-infectious role via host immune regulation. This work clarified the material basis for direct bacteriostasis and the auxiliary mechanism at the host level, providing an important reference for the potential application of lavender essential oil in the field of antibacterial treatment.
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INDUSTRIAL CROPS AND PRODUCTS
·
2022
·
IF 6.449
Peixi Zhu,Mengya Hao,Feng Su,Wenhao Xu,Qihong Zhang,Weike Su,Erwin Adams
Mechanochemistry is a process that could convert mechanical energy into the substance's internal energy to induce changes. In the current study, mechanochemistry was employed for the first time to extract the essential oil from Citrus aurantium L . var. amara Engl . Materials and reagents were ground at high speed in a planetary ball mill and exposed to solvent extraction. To achieve the best extraction from Citrus aurantium L . var. amara Engl . , the following parameters were selected: 5% fumed silica A200 as solid reagent, ball milling at 300 r/min for 10 min and extraction with n-hexane (1 g/5 mL) during 30 min. These settings gave an essential oil yield of 6.60 ± 0.20%. This is 26 times higher than by hydrodistillation (0.25 ± 0.03%) and more than 3 times higher compared to reflux extraction (2.08 ± 0.16%). The extracts obtained by the three approaches were analysed applying GC-MS. A total of 65 components was identified, including 60 by mechanochemical-assisted extraction, 27 by hydrodistillation and 49 by reflux extraction. Furthermore, scanning electron microscopy was used to observe the changes in material surface structure by the effect of mechanochemical-assisted extraction.
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JOURNAL OF PEST SCIENCE
·
2022
·Vol. 96
·期 3
·961-971
·
IF 5.742
Li Yuling,Wu Weifeng,Jian Rongchao,Ren Xiaofei,Chen Xiaole,Hong Weiqian David,Wu Min,Cai Jinglin,Lao Canyao,Xu Ximing,Sheng Zhaojun
The potential for essential oils (EOs) to act as a natural alternative for controlling mosquito populations has aroused extensive interest in recent years. Four EOs ( Thymus vulgaris (thyme), Foeniculum vulgare (fennel), Citrus medica (lime), and Camellia sinensis (green tea)) were selected in our previous larvicidal screening assays against Aedes albopictus . In this study, the active constituents of each EO were identified. Next, their acetylcholinesterase (AChE) inhibitory activity was evaluated, and the binding mode was studied by molecular docking. To improve EO stability and duration of activity, nanoemulsions were prepared and characterized. Thirteen constituents of the four EOs at the 100 ppm level led to 100% mortality of the larvae, the four most active constituents being α -hexyl cinnamaldehyde (LC 50 = 24.0 ± 0.3 ppm), limonene (LC 50 = 34.1 ± 0.7 ppm), α -terpinene (LC 50 = 50.0 ± 0.5 ppm), and carvacrol (LC 50 = 54.7 ± 0.6 ppm). These compounds, with the exception of α -hexyl cinnamaldehyde, also showed potent AChE inhibitory activity. Nanoemulsions with droplet size of 56.8–224.9 nm were prepared by emulsification at a 1:1 (v/v) ratio of EO and Tween 80. These EO nanoemulsions showed equally potent larvicidal activity as EOs themselves; moreover, they showed better stability and were active for longer time. These results suggest that natural EOs and their constituents have potential as larvicides for mosquito vector control and that nanoemulsification is an effective method for improving their physicochemical properties and efficacy.
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2023
·
IF 5.2
Nan He,Chunxiao Zhang,Kaiyang Hou,Hongxiao Yu,Donghai Zhang,Mengying Chen,Kaiqiang Zhang,Xu Wang
Flavors , being highly volatile compounds used in various circumstance, often require encapsulation to facilitate their handling and processing. Among different encapsulation strategies, molecular inclusion complexation with cyclodextrins through host-guest interactions is one of the most commonly employed approach. This study focuses on the fabrication of different kinds of flavor/cyclodextrin inclusion complexes and the identification of inclusion regularities, as well as the prediction of encapsulation results based on the chemical structures and oil-water partition coefficients of flavors. Meanwhile, the property characterizations of representative inclusion complexes confirm improvements in sustained release ability and flavors stability. These inclusion complexes have potential applications in the fields of food and tobacco processing. Furthermore, we successfully prepare the inclusion products with stable loading capacities and yields in a 100 L reactor, suggesting the significant potential for industrial-scaled production using the preparation method for flavor/cyclodextrin inclusion complexes outlined in this study.
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ACS Biomaterials Science & Engineering
·
2020
·
IF 4.152
Yongfeng Wang,Qingqing Cheng,Jian Liu,Zeeshan Tariq,Zhaozhu Zheng,Gang Li,David L. Kaplan,Xiaoqin Wang
Microcapsules have attracted widespread interest for their unique properties in encapsulation, protection, and separation of active ingredients from the surrounding environment. However, microcapsule carriers with controllable shell thickness, permeability, good mechanical properties, and thermostability are challenging to obtain. Herein, robust and versatile composite microcapsules were fabricated using SiO2 nanoparticle-stabilized (Pickering) oil emulsions as core templates, while silk fibroin (SF) was assembled at the oil/water interface. This process resulted in the formation of physically and chemically stable microcapsules with a thick (∼800 nm) shell that protected the encapsulated ingredient from high shear forces and high temperatures during spray-drying. SiO2 nanoparticles were randomly distributed in the shell matrix after preparation, making the microcapsules mechanically robust (4.48 times higher than control samples prepared using surfactant Tween 80 instead of the SiO2 nanoparticles), as well as thermostable (retained shape to 900 °C). The microcapsules displayed tunable drug release by adjusting the SF content in the shell. Under optimal conditions (weight ratio of SiO2/SF = 7:10, corn oil content about 55 wt %), a model drug (curcumin) was encapsulated in the SF microcapsules with an encapsulation efficiency up to 95%. The in vitro drug release from these SF microcapsules lasted longer than control microcapsules, demonstrating the capability of these novel microcapsules in sustaining drug release.
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Analytical Methods
·
2019
·Vol. 11
·期 11
·1541-1550
·
IF 2.378
Ping Chen,Bing Liu,Xin Liu,Jihong Fu
In this research, a novel method based on ultrasound-assisted extraction and dispersive liquid–liquid microextraction (UAE-DLLME) coupled with gas chromatography-mass spectrometry (GC-MS) has been successfully developed for the determination of essential oil constituents in lavender. The effective parameters of UAE-DLLME, including the type of extraction solvent, type and volume of preconcentration solvent, type and volume of disperser solvent, extraction temperature, and extraction time, were studied and optimized in detail. The optimal analytical conditions were as follows: 2 mL 50% ethanol as the extraction solvent, 150 μL methanol as the disperser solvent, 40 μL CCl4 as the preconcentration solvent, an extraction time of 20 min and an extraction temperature of 50 °C. Under the optimum conditions, a total of 13 samples of three varieties of lavender were analyzed and 64 compounds were identified. The precision of UAE-DLLME-GC-MS was evaluated and the relative standard deviation (RSD) was below 9% (n = 5). Good linearity with correlation coefficients of >0.9982 was obtained; limits of detection ranging from 1.75 to 7.50 ng indicated high sensitivity. Principal component analysis (PCA) was used to distinguish different varieties of lavender. This is the first application of UAE-DLLME for the analysis of essential oil constituents in lavender. The results showed that UAE-DLLME-GC-MS is a fast, sensitive, simple and small sample consumption method for the determination of essential oils in plant materials.
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PROTEIN EXPRESSION AND PURIFICATION
·
2018
·
IF 1.338
Wenqian Li,Hao Shi,Huaihai Ding,Liangliang Wang,Yu Zhang,Xun Li,Fei Wang
This paper first describes characterization of two thermostable esterases (ThLip1 and ThLip2) from the thermophilic bacterium Thermoanaerobacterium thermosaccharolyticum DSM 571. The recombinant esterase ThLip1 was active at 80 °C, pH 6.5 and maintained approx. 85% of original activity after 2 h incubation at 75 °C. Kinetic parameters , K m , V max and k cat / K m for 4-Nitrophenyl caprylate ( p NPC) were 3.52 ± 0.47 mM, 191.18 ± 1.82 μmol min −1 mg −1 and 20.80 ± 0.07 mM −1 s −1 , respectively. The purified recombinant esterase ThLip2 was optimally active at pH 6.5 and 75 °C and it was stable against a pH range of 6.0–8.0 possessing 2 h half-life at 80 °C. Kinetic experiments at 75 °C with p NPC as a substrate gave a K m of 3.37 mM, V max of 578.14 μmol min −1 mg −1 and k cat of 231.2 s −1 . The hydrolysis of linalyl acetate were carried out using ThLip1 and ThLip2 as catalyst, affording linalool yields over 140 mg/l in 10 h.
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Processes
·
2024
·Vol. 12
·期 3
·498
·
IF 2.8
Xiaoming Zeng,Hao He,Liejiang Yuan,Haizhi Wu,Cong Zhou
A combined dispersed liquid–liquid microextraction (DLLME) and chromatography (GC) method was developed for the determination of 24 aromatic substances in rosemary hydrosol in this work. The pretreatment method of DLLME was optimized by carefully selecting the appropriate extraction agents, dispersants, and their respective amounts. With carbon tetrachloride as the extractant and acetone as the dispersant, the enrichment factor of DLLME is 13.3, and the 24 target substances such as eucalyptol, camphor and verbenone can be separated within 31 min and quantified by an external standard method using gas chromatography (GC). The correlation coefficient r2of the linear regression equation is within the range of 0.9983 to 0.9991. The detection limit of the method was 0.02 mg/L, the recovery rate of the spiked solution was 76.4–118.4%, the relative standard deviation was 0.4–6.9% and the method was used to detect the semi-finished products of rosemary hydrosol and the finished rosemary hydrosol sold on the market. This method also provides a reference for the qualitative and quantitative determination of aromatic substances in other hydrosols.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Jian Hong,Qiang Wang,Biao Liu,Tao Li,Dingkai Hu,Furqan Muhammad
Isothermal vapor–liquid equilibrium (VLE) data for valuable and thermally sensitive lavender essential oil systems, linalool + linalyl acetate, linalool + α-terpineol, and α-terpineol + linalyl acetate, were determined at 363.15, 378.15, and 393.15 K, respectively, by utilizing headspace gas chromatography (HSGC). The Wilson, NRTL, and UNIQUAC models were used to regressively fit experimental VLE data, demonstrating satisfactory agreement between the models and data. The vapor compositions were analyzed at different temperatures using the Wilson, NRTL, and UNIQUAC models, and the maximum absolute average deviation (AAD) values were 0.72, 0.78, and 0.80%, respectively, and the highest mean relative deviation (MRD) among these three models was 1.62, 1.57, and 1.65%, respectively. Furthermore, AMS software acquired the optimum intermolecular spatial arrangement and binding energy.
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FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xinming Chen,Dandan Yang,Lin Huang,Mengqi Li,Jihai Gao,Can Liu,Xiaoming Bao,Zhizhi Huang,Jinhui Yang,Haozhou Huang,Dingkun Zhang,Runchun Xu
Frankincense is an important seasoning and spice known for its distinctive and intricate flavor profile. Considering the considerable variation in the aromatic quality of frankincense due to geographical origin, species diversity and cultivation conditions, frankincense from major global origins was characterized holistically for the first time. The electronic nose (E-nose) with headspace solid-phase microextraction gas chromatography–mass spectrometry (HS–SPME–GC–MS) and sensory evaluation were implemented to characterize the aroma components of 21 commercial varieties of frankincense from around the world. The results showed that a total of 149 volatile organic compounds (VOCs) of 10 categories were identified in frankincense, among which the numbers of alcohols, terpenes and esters compounds accounted for 22.15 %, 18.79 % and 15.44 % of the total VOCs of frankincense, respectively. The PLS-DA model effectively distinguished frankincense from Oman/Somalia and other origins. Furthermore, the study identified two differential VOCs with VIP > 1 in three Asian countries and five in six African countries. The total VOCs content and sensory characteristic score of “Lemon/Citrus” in Oman frankincense is significantly higher than other regions. The OAV results showed that 61 substances (e.g., Diacety, alpha-Pinene, Camphene, Myrcene) as key aroma compounds and OICS model indicated that p-Cymenol was found to contribute significantly to the citrus aroma in frankincense. This study identified the fundamental components of frankincense flavor and revealed different flavor descriptors of frankincense, which are crucial for reconstructing frankincense flavor and improving flavor quality.
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