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Food Chemistry-X · 2023 · IF 6.1

The impact of different drying methods on the physical properties, bioactive components, antioxidant capacity, volatile components and industrial application of coffee peel

Dongsheng Hu,Xiaogang Liu,Yuyue Qin,Jiatong Yan,Rongmei Li,Qiliang Yang

This study evaluated the effects of hot air drying (HAD), microwave drying (MD), vacuum drying (VD), sun drying (SD) and vacuum freeze drying (VFD) on the physical properties, bioactive components, antioxidant capacity, volatile components and industrial application of coffee peel. The results showed VFD could retain the appearance color, total phenolics (19.49 mg GAE/g DW), total flavonoids (9.65 mg CE/g DW), caffeine (3.15 mg/g DW), trigonelline (2.71 mg/g DW), and antioxidant capacities of fresh sample to the greatest extent, but its operating cost was significantly higher than other treatments and total volatile components were in the minimum levels. HAD and SD exhibited the highest loss rates of total phenols and antioxidant capacities, exceeding 50%. MD offered the lowest operating cost, superior retention of bioactive components, and the richest variety and quantity of volatile compounds. Therefore, it is recommended to use MD to dehydrate the coffee peel in actual production.

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PHYTOMEDICINE · 2024 · IF 6.7

Exploring the potential of cryptochlorogenic acid as a dietary adjuvant for multi-target combined lung cancer treatment

Xue Bai,Yinuo Liu,Yuchen Cao,Zhouye Ma,Yue Chen,Shuai Guo

Background Lung cancer is a highly malignant disease with limited treatment options and significant adverse effects . It is urgent to develop novel treatment strategies for lung cancer. In recent years, TMEM16A has been confirmed as a specific drug target for lung cancer. The development of TMEM16A-targeting drugs and combined administration for the treatment of lung cancer has become a research hotspot. Methods Fluorescence screening and electrophysiological experiments were conducted to confirm the inhibitory effect of CCA on TMEM16A. Molecular dynamics simulation and site-directed mutagenesis were employed to analyze the binding mode of CCA and TMEM16A. CCK-8, colony formation, wound healing , transwell, and annexin-V experiments were conducted to explore the regulatory effects and mechanisms of CCA on the proliferation, migration, and apoptosis of lung cancer cells. Tumor model mice and pharmacokinetic experiments were used to examine the efficacy and safety of CCA and cisplatin in vivo . Results This study firstly confirmed that CCA effectively inhibits TMEM16A to exert anticancer effects and analyzed the pharmacological mechanism. CCA bound to S517/N546/E623/E633/Q637 of TMEM16A through hydrogen bonding and electrostatic interactions. It inhibited the proliferation and migration, and induced apoptosis of lung cancer cells by targeting TMEM16A. In addition, the combined administration of CCA and cisplatin exhibited a synergistic effect, enhancing the efficacy of lung cancer treatment while reducing side effects . Conclusion CCA is an effective novel inhibitor of TMEM16A, and it synergizes with cisplatin in anticancer treatment. These findings will provide new research ideas and lead compound for the combination therapy of lung cancer.

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BIOORGANIC & MEDICINAL CHEMISTRY · 2024 · IF 3.3

Inhibition of LPS-induced inflammatory response in RAW264.7 cells by natural Chlorogenic acid isomers involved with AKR1B1 inhibition

Xu Han,Xiaqing Wu,Fanglin Liu,Huan Chen,Hongwei Hou

Inflammation is the physiological response of the immune system to injury or infection, typically manifested by local tissue congestion, swelling, heat, and pain. Prolonged or excessive inflammation can lead to tissue damage and the development of many diseases. The anti-inflammatory effects of natural ingredients have been extensively researched and confirmed. This study investigated the effects of Chlorogenic acid (CGA) isomers —— 3-Caffeolyquninic acid (3-CQA), 4-Caffeolyquninic acid (4-CQA), and 5-Caffeolyquninic acid (5-CQA) —— on the inflammatory response and oxidative stress reaction induced by LPS in RAW264.7 cells. Overall, 3-CQA exhibited the most significant reduction in levels of TNF-α, IL-6, NO, and ROS. 4-CQA showed superior inhibition of TNF-α compared to 5-CQA (p < 0.05), while no significant difference in other parameters. We further used DARTS and CETSA to demonstrate that CGA isomers have stable affinity with AKR1B1. As a positive control, the AKR1B1 antagonist epalrestat exhibited similar effects to the CGA isomers. 3-CQA having the smallest half-inhibitory concentration (IC50) for AKR1B1, while 4-CQA and 5-CQA have similar values. AutoDock simulations of the docking conformations revealed minimal differences in the average binding energies of the CGA isomers. The main differences were that VAL47 formed a hydrogen bond with 3-CQA, whereas GLN49 formed hydrogen bonds with 4-CQA and 5-CQA. Additionally, the number of hydrophobic bonds involving PHE122 and LEU300 varies. Our conclusion is that differences in non-covalent interactions result in the varying inhibitory abilities of CGA isomers on AKR1B1, which further affect the anti-inflammatory and antioxidant effects of CGA isomers.

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INTERNATIONAL JOURNAL OF FOOD PROPERTIES · 2025 · IF 3.9

Comprehensive profiling of antioxidants in Zanthoxylum bungeanum leaves using two-dimensional liquid chromatography and regional comparisons

Yan Yu,Yan-Ping Liu,Jin-Fen Zheng,Xi-Jin Yang,Qi-Ju Shao,Dan Wang,Luo-Wei Wang,Fu-Zhen Li,Lan Yu,Rong-Xiang Chen

The phenolic components in Zanthoxylum bungeanum leaves have been shown to contribute significantly to their antioxidant activity. However, the specific contribution of individual monomeric components to this activity remains unclear. This study employed two-dimensional liquid chromatography with electrochemical detection and tandem mass spectrometry (2D-LC-ECD-MS/MS) to rapidly screen and identify these components. A total of 31 antioxidant components were identified, including proanthocyanidins, chlorogenic acids, and flavonoids. The fractions collected from the first-dimension showed significant radical scavenging capacity, with a strong correlation between the response of ECD and antioxidant activity. Eleven compounds were quantitatively analyzed in 24 batches of samples using LC-ECD. While the chemical composition of samples across regions was highly similar, significant differences in content were observed. Quercitrin was the most abundant compound (0.076–3.547 mg/g), significantly higher than other phenolic compounds (p < .05). Samples from the Yuci region of Shanxi exhibited a 75% higher concentration of proanthocyanidins than those from Qianxinan, Guizhou (p < .05), highlighting significant regional variations. This study screened and identified antioxidant components in Zanthoxylum bungeanum leaves and evaluated the quality of samples across origins. The methodology also provides a reference for investigating antioxidants in other edible and medicinal plants.

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CHINESE CHEMICAL LETTERS · 2025 · IF 8.9

Energy-resolved in-source dissociation spectra by tunable pulsed arc plasma ionization for the differentiation of structural isomers

Ming-Mai Bao,Ying-Chao Liu,Hao-Nan Xu,Jing Zhang,Yin-Long Guo

Differentiating structural isomers in mass spectrometry (MS) poses significant challenges due to the difficulties in generating fragment ions by atmospheric pressure ionization and the spectral similarities encountered in tandem MS/MS analysis. The continuous arc plasma enables in-source dissociation fingerprinting analysis of isomers but presents a risk of solvent ignition during sample introduction because of high temperatures, posing safety concerns. To address these challenges, the Tunable Pulsed Arc Plasma (TPAP) ionization and dissociation device has been developed. The TPAP device converts continuous arc plasma into a pulsed mode, reduces plasma temperatures, enhances discharge stability and safety, and enables adjustable plasma energy for in-source compound dissociation. Programmable control over the pulsed arc plasma voltage allows the scanning of compounds under varying dissociation energies, facilitates the construction of compound-specific energy-resolved spectra. Validation experiments with disubstituted benzene species, chlorogenic acid derivatives, disaccharide and diacylglycerol have demonstrated the capability of TPAP-MS to effectively differentiate isomers through distinct energy-resolved spectra. The TPAP-MS requires minimal instrumental modifications and provides rapid and precise structural annotations directly from the ion source, offering broad potential applications in the analysis of structural isomers.

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