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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Experimental Determination and Modeling of Liquid–Liquid Equilibrium for Ternary Mixtures of Ethylene Glycol + 1,2-Butanediol + 3-Heptanone or Anisole

Chunli Li,Xuefei Wang,Hao Li,Cong Duan,Le An,Qing Liu

Experimental liquid–liquid equilibrium (LLE) data for the system ethylene glycol (EG) + 1,2-butanediol (1,2-BD) + 3-heptanone were measured at atmospheric pressure at 293.15, 303.15, and 313.15 K and the ternary LLE for systems of EG + 1,2-BD + anisole were also investigated at 303.15 K at 101.3 KPa by using liquid–liquid equilibrium kettle method. Distribution coefficient and selectivity were obtained and applied to evaluate the extraction capacity of 3-heptanone and anisole. The reliability of the experimental data was confirmed by the Hand correlation and the Othmer–Tobias correlation. The experimental LLE data were correlated by NRTL and UNIQUAC models, and the corresponding parameters were obtained. The root-mean-square deviations (RMSD) between the experimental data and calculated values were less than 1.22%. Topological concepts related to the Gibbs stability test were used to validate the consistency between model parameters and experimental data. The liquid–liquid equilibrium data provide the basic physicochemical properties for design of extraction process of 1,2-BD from EG by 3-heptanone and anisole. According to comprehensive correlation coefficient analysis, 3-heptanone is more suitable for the extraction of 1,2-BD from EG than anisole.

CAS / MDL: 100-66-3
研究领域: 化学工程 · 物理化学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2024 · IF 3.1

Comparisons of pharmacokinetics and tissue distribution of six major bioactive components of the herbal pair Alpinia officinarum-Cyperus rotundus in normal and primary dysmenorrhea rats

Yufang Huang,Xikang Ren,Yonghui Li,Junqing Zhang,Na Wei,Hailong Li,Yinfeng Tan

The Liangfu formula, as described in 'Liangfang Jiye', is well-known for its efficacy in treating stomach pain, abdominal pain, and dysmenorrhea. This research aimed to investigate the pharmacokinetics and tissue distribution of 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone (DPHA), Galangin, Kaempferide, 5-Hydroxy-1,7-diphenyl-3-heptanone (DPHC), α-Cyperone, and Nootkatone in vivo using an LC-MS/MS method. The method successfully separated the six active components and internal standards (Chrysin and Yakuchinone-A) on an XB-C18 column with a mobile phase of 0.2 ‰ formic acid water-acetonitrile. It demonstrated good linearity with a correlation coefficient (r 2 ) ≥ 0.9911 and a lower limit of quantification (LLOQ) of 5–80 ng/mL for the different components. Precision, accuracy, matrix effects, and recovery rates were within acceptable ranges. Pharmacokinetic analysis revealed significant differences in parameters between primary dysmenorrhea (PD) and normal rats (especially AUC, T max, and CL z /F). Tissue distribution showed that the six active components of the herbal pair Alpinia officinarum Hance- Cyperus rotundus L. (HPAC) extract was primarily distributed in the liver, lung, and kidney. This study offers valuable insights into the potential mechanisms of action and drug development for treating PD.

CAS / MDL: 64-18-6
研究领域: 药理学 · 中医 · 分析化学 · 药物动力学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF ETHNOPHARMACOLOGY · 2022 · IF 5.195

A diarylheptanoid compound from Alpinia officinarum Hance ameliorates high glucose-induced insulin resistance by regulating PI3K/AKT-Nrf2-GSK3β signaling pathways in HepG2 cells

Xu-guang Zhang,Ai-xia Liu,Yu-xin Zhang,Ming-yan Zhou,Xiang-yi Li,Ming-hai Fu,Yi-peng Pan,Jian Xu,Jun-qing Zhang

Ethnopharmacological relevance Alpinia officinarum Hance, a perennial natural medicine-food herb, has been traditionally used to treat colds, stomachache, and diabetes for thousands of years. 1,7-Diphenyl-4E-en-3-heptanone (DPH5), a diarylheptanoid isolated from the rhizome of A. officinarum has been reported to be safe and to have antioxidant and hypoglycemic effects, suggesting its potential in the treatment of insulin resistance (IR). Aim of the study : Aim of to investigate the protective effect of DPH5 on IR and elucidate its underlying mechanism of action. Materials and methods HepG2 cells were used as the research objects. Glucose uptake and reactive oxygen species (ROS) levels in high glucose–induced insulin-resistant HepG2 cells were assessed using flow cytometry. Glucose consumption and the levels of malondialdehyde (MDA) and superoxide dismutase (SOD) were analyzed using the corresponding assay kits. The expression of mRNA and proteins related to insulin signaling, glucose metabolism, and antioxidant factor, including insulin receptor substrate-1 (IRS1), phosphatidylinositol 3-kinase (PI3K), protein kinase B (AKT), translocation of glucose transporter-4, glycogen synthase kinase-3β (GSK3β), glucokinase (GCK), pyruvate kinase (PK), phosphoenolpyruvate carboxykinase (PEPCK), glucose-6-phosphatase (G6Pase), nuclear factor-erythroid 2 related factor 2 (Nrf2), heme oxygenase-1 (HO-1), NADPH quinoneoxidoreductase (NQO1), and glutathione peroxidase (GSH-Px) was determined using real-time quantitative polymerase chain reaction and western blotting . Furthermore, molecular docking was performed to determine the spatial mechanism of DPH5 on the key targets PI3K, AKT, Nrf2 , and GSK3β. Results DPH5 could improve IR that manifested as increased glucose uptake and glucose consumption in insulin-resistant HepG2 cells. Moreover, DPH5 could enhance antioxidant capacity by activating Nrf2/HO-1 elements, including increasing Nrf2, HO-1, SOD, NQO1, and GSH-Px expression and reducing MDA, ROS, and JNK levels, thereby improving oxidative stress and ultimately alleviating IR. Additionally, DPH5 could promote the expression of IRS1, PI3K, AKT, GSK3β, GCK, and PK, and downregulate the expression of PEPCK and G6pase, thereby accelerating glucose utilization and enhancing insulin sensitivity. The mechanism underlying the effect of DPH5 in alleviating IR was related to the PI3K/AKT- and Nrf2/HO-1-mediated regulation of the GSK3β signaling pathway, and the results were further confirmed using the specific inhibitors LY294002 and ML385. Results from molecular docking indicated that there were different regulatory sites and interacting forces between DPH5 and PI3K, AKT, Nrf2, and GSK3β; however, the binding force was relatively strong. Conclusions DPH5 improved oxidative stress and glucose metabolism via modulating the PI3K/AKT-Nrf2-GSK3β pathway, thereby ameliorating IR. Overall, our findings suggest the potential of DPH5 as a natural medicine to treat type-2 diabetes mellitus.

研究领域: 药理学 · 细胞生物学 · 分子生物学 · 内分泌学 · 糖尿病
✓ 已验证 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Effects of different roasting temperatures on the flavor characteristics of shelled macadamia kernels: Analysis based on HS-GC-IMS and HS-SPME-GC–MS

Xueping Zhang,Xinxin Yu,Rongsuo Hu,Jiyue Zhang,Wenjiang Dong

This study aimed to evaluate the effect of roasting temperature on the flavor characteristics of shelled macadamia kernels (SMKs) employing quantitative descriptive sensory analysis, color analysis, and two volatile compound profiling techniques, namely headspace-solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC–MS) and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). Sensory and color analyses showed that roasting at 140 °C yielded a desirable roasted macadamia product, exhibiting a rich balsam flavor, creamy aroma, and uniform, harmonious faint yellow color. HS-SPME-GC–MS and HS-GC-IMS identified 107 volatile organic compounds (VOCs). Aldehydes, pyrazines, and furans increased with increasing roasting temperature, and these compounds were key contributors to the nutty aroma. Lipid oxidation dominated flavor formation during low-temperature roasting, while Strecker degradation prevailed at high temperatures. Among the VOCs, 23 with relative odor activity values (ROAV) of ≥1 contributed significantly to the overall aroma of roasted SMK. Furthermore, HS-SPME-GC–MS and HS-GC-IMS identified 10 and 16 key VOCs, respectively, including 2-methylpyrazine, 2,5-dimethylpyrazine, 2-ethylpyrazine, nonanal, and propanal. Interestingly, ethanol content showed a significant negative correlation ( p  < 0.05) with “bitter,” and “burnt”, as well as with a*, b*, and c, whereas most pyrazine compounds exhibited positive correlations with these sensory attributes ( p  < 0.05). Altogether, the findings of this study present roasting as an effective approach for enhancing macadamia nut aroma and provide valuable insights for flavor control in nut products.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2025 · IF 8.2

Comparison of key odorants and sensory properties of various caviar with different breeding environments, processing conditions, and grades of quality

Zhuyu Yang,Zefan Chen,Weijia Zhang,Jinlin Wang,Fan Bai,Ruichang Gao,Yujin Li,Jian Li,Yuanhui Zhao,Xinxing Xu

This is the first comprehensive comparison of key odorants and sensory properties of various caviar with different breeding environments, processing conditions, and grades of quality. Ten aroma attributes were identified and rated by sensory descriptive analysis. 47 and 50 volatile compounds were identified by two aroma extraction methods (SPME, SAFE) combined with GC–MS, respectively. 27 potential key aroma-active compounds were quantitated and further screening through AEDA and OAV calculation. Finally, 21 key aroma active compounds (OAV > 1, FD ≥ 9) were screened, including butanal, hexanal, ( Z )-4-heptenal, ( Z )-2-penten-1-ol, 2-nonanone, nonanal, 1-octen-3-ol, 2-ethyl-1-hexanol, benzaldehyde, acetic acid and other compounds. Recombination and omission tests verified that these compounds played an important role in the overall aroma profile of different caviar samples. The different contribution of key volatile aroma compounds to the overall aroma system of caviar resulted in the difference of caviar flavor quality.

研究领域: 食品科学 · 风味化学 · 感官分析 · 水产养殖 · 食品加工
✓ 已验证 产品关联 DOI PubMed 高影响因子
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TALANTA · 2020 · IF 5.339

Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation

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.

研究领域: 分析化学 · 分离科学 · 材料科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2022 · IF 6.056

Identification of changes in the volatile compounds of robusta coffee beans during drying based on HS-SPME/GC-MS and E-nose analyses with the aid of chemometrics

Ke Zhang,Jinhuan Cheng,Qidi Hong,Wenjiang Dong,Xiaoai Chen,Guiping Wu,Zhenzhen Zhang

In this study, headspace solid-phase microextraction/gas chromatography-mass spectrometry (HS-SPME/GC-MS) and electronic-nose (E-nose) analyses were performed to examine the comprehensive flavor profiles of robusta coffee during heat air drying. A total of 62 volatile compounds were identified by HS-SPME/GC-MS, the level of acids, aldehydes, alcohols and esters decreased during drying process, however, the relative content of hydrocarbons and acids increased. Principal component analysis of the E-nose results clearly differentiated the samples related to drying time, and it was found that samples of initial stages (0 h, 3 h, and 6 h) had strong positive with different sensors. Partial least squares-discriminant analysis (PLS-DA) indicated that alcohols, ketones, and esters were the main contributing compounds to the flavour of coffee beans. The VIP score of PLS-DA larger than one illustrated that T30/1, T70/2, PA/2, and P30/2 were positive with ketones, sulfur compounds, and esters. These results could provide theoretical evidence about the change rule in volatile compounds of coffee beans during drying process, and could be applied to other thermally sensitive tropical agricultural products.

CAS / MDL: 106-35-4
研究领域: 食品科学 · 化学计量学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2024 · IF 6

Characterization of the volatile flavour compounds in Yunnan Arabica coffee prepared by different primary processing methods using HS-SPME/GC-MS and HS-GC-IMS

Huinan Zhai,Wenjiang Dong,Yumei Tang,Rongsuo Hu,Xinxin Yu,Xiaoai Chen

In this study, coffee samples from seven primary processing methods—traditional dry processing (CG), dry processing I (GA), dry processing II (GB), traditional wet processing (CS), honey processing I (MA), honey processing II (MB), and honey processing III (MC)—underwent comprehensive investigation using HS-SPME/GC-MS and HS-GC-IMS. A total of 81 and 96 VOCs were identified by GC-MS and GC-IMS, respectively. The differences in VOCs among various primary processing samples were observed. The results demonstrated increased volatilization of coffee flavor substances due to anaerobic fermentation. CG, GA, and GB samples exhibited high levels of fruity, floral, and sweet aromas. Conversely, honey processing methods (MA, MB, and MC) enhanced the caramel, roasted aroma, and buttery flavor of coffee samples. PCA and PLS-DA successfully categorized coffee beans based on their aroma properties. These findings indicated that honey processing, combined with drying, significantly influenced coffee bean VOCs, enhancing caramel, roasted aroma, and buttery flavor—crucial for the characteristic volatile metabolites of Yunnan arabica coffee beans.

CAS / MDL: 106-35-4 67-56-1
研究领域: 食品科学 · 分析化学
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