Nature Communications
·
2024
·Vol. 15
·期 1
·1-11
·
IF 14.7
Chen Jiawei,Zhang Daoming,Zhu Lei,Liu Mingzhu,Zheng Tianle,Xu Jie,Li Jun,Wang Fei,Wang Yonggang,Dong Xiaoli,Xia Yongyao
Commonly-used ether and carbonate electrolytes show distinct advantages in active lithium-metal anode and high-voltage cathode, respectively. While these complementary characteristics hold promise for energy-dense lithium metal batteries, such synergy cannot be realized solely through physical blending. Herein, a linear functionalized solvent, bis(2-methoxyethyl) carbonate (BMC), is conceived by intramolecularly hybridizing ethers and carbonates. The integration of the electron-donating ether group with the electron-withdrawing carbonate group can rationalizes the charge distribution, imparting BMC with notable oxidative/reductive stability and relatively weak solvation ability. Furthermore, BMC also offers advantages including the ability to slightly dissolve LiNO 3 , excellent thermostability and nonflammability. Consequently, the optimized BMC-based electrolyte, even with typical concentrations in the single solvent, demonstrates high-voltage tolerance (4.4 V) and impressive Li plating/stripping Coulombic efficiency (99.4%). Moreover, it fulfills practical lithium metal batteries with satisfactory cycling performance and exceptional tolerance towards thermal/mechanical abuse, showcasing its suitability for safe high-energy lithium metal batteries.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 39
·期 12
·e70235
·
IF 1.7
Xiangxiang Fu,Jiao Fu,Haibiao Gong,Lili Zhong,FangLing Wang,MengYu Mei,Bingli Zhang,Wenya Xu,Xian Zhang,Min Wang,Wanyang Sun,Lei Yang
This study aimed to develop a high-throughput and high-sensitivity method for simultaneously determining trimethoprim (TMP), sulfamethoxazole (SMX), and its metabolite acetyl- N -sulfamethoxazole (NSMX) in critically ill patients' plasma. The samples were precipitated using methanol and then purified using the Oasis PRiME HLB solid-phase extraction column. The mobile phase consisted of a mixture of 40% 0.1% formic acid aqueous solution and 60% acetonitrile, with a flow rate of 0.35 mL/min. Analyses were conducted using UPLC-Q-Exactive Plus Orbitrap mass spectrometry in positive ion mode. With only 50 μL of plasma required for accurate quantification, this method was applicable for therapeutic drug monitoring (TDM). Validation demonstrated precision and accuracy within 15% of nominal values. The samples remained stable for 12 h at 4°C and −20°C and for 15 days at −20°C and −80°C, which ensured the reliability of the method during sample storage and handling under different environmental conditions. The method can be applied for concentration monitoring and pharmacokinetic studies, enabling TDM and dose adjustments for critically ill patients. This approach will enhance patient outcomes and reduce medical resource waste, offering reliable sensitivity and specificity to support precision medicine in critical care.
✓ 已验证
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 1
·e70270
·
IF 1.7
Yawen Li,Yishan Li,Kunping Yang,Wanjie Liu,Ming Yang,Shuo Wang,Wei Feng,Guangfu Lv,Jiaming Sun
To screen for anti-PMO active components in Cornus officinalis based on ERβ enzyme activity using affinity ultrafiltration and molecular docking techniques.ERβ enzyme and UHPLC-Q-Exactive Orbitrap MS were employed to analyze the anti-PMO activity and predict the components of different concentrations of ethanol extracts of C. officinalis . Molecular docking was used to verify the interaction mechanism between small molecule ligands and ERβ. The anti-PMO activity of the predicted components was further verified using MC3T3-L1 cells. The results showed that the ERβ enzyme can serve as a target enzyme for screening anti-PMO components. The 50% ethanol extract exhibited the best activity. UHPLC-Q-Exactive Orbitrap MS identified and analyzed 17 potential active components. Based on the binding rate and molecular docking results, the following three active components were identified: sweroside, 4-hydroxycinnamic acid, and cornuside. In vitro activity validation confirmed that these components have potential anti-PMO effects. The ERβ enzyme can be used as a potential target enzyme for screening anti-PMO active components in traditional Chinese medicine. The combination of affinity ultrafiltration and molecular docking provides an effective and rapid method for active component screening, offering valuable references for the targeted therapy, mechanism exploration, and quality control of traditional Chinese medicine.
研究领域:
生药学
·
天然产物化学
·
分子生物学
·
中医药学
·
药物发现
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 39
·期 8
·e70160
·
IF 1.7
Mingxin Guo,Jiaqi Zeng,Sang Xu,Xia Wu,Zhiqiang Hu,Xuping Wang,Liangliang Wang
The study aims to analyze the chemical constituents of Xuefu Zhuyu Wan (XZW) based on LC–MS and explore the mechanism of XZW in treating postoperative cognitive dysfunction (POCD) through network pharmacology and identify its potential quality marker (Q-marker). The chemical components of XZW were analyzed by LC–MS, and the corresponding targets were predicted by SwissTargetPrediction. Then POCD targets were obtained by GeneCards, OMIM, PharmGKB, and TTD database, and the “components-targets” and protein–protein interaction (PPI) maps were drawn by Cytoscape 3.9.1. The visualization of GO and KEGG enrichment analysis was obtained by micro-information. Finally, the content of network pharmacology prediction was preliminarily verified by molecular docking. Eighteen compounds were identified in XZW using LC–MS. SwissTargetPrediction predicted 443 compound targets. Among these, there are 352 common targets between the drug and the disease. Using Cytoscape 3.9.1, the main active components were screened as inophyllum E, liquiritigenin, pyrethrin, albiflorin, isoliquiritigenin, prunasin, meranzin, ligustilide, isoglycyrol, and dibutylphenol. PPI analysis identified the top 10 core proteins as: glyceraldehyde-phosphate dehydrogenase (GAPDH), protein kinase B (AKT1), tumor necrosis factor (TNF), src protein (SRC), epidermal growth factor receptor (EGFR), caspase 3 (CASP3), estrogen receptor (ESR1), prostaglandin peroxidase synthase 2 (PTGS2), matrix metalloenzyme 9 (MMP9), and transcription factor (JUN). KEGG enrichment analysis revealed 166 pathways, including the neuroactive ligand–receptor interaction pathway. Molecular docking shows that the active components have a good affinity with the core targets. It is predicted that liquiritigenin, isoglycyrol, inophyllum, and albiflorin could serve as Q-marker for XZW in the treatment of POCD. The chemical constituents of XZW were obtained by preliminary analysis, and the possible pharmacodynamic substances and their mechanism in treating POCD were discussed. The Q-marker of XZW in treating POCD was predicted, which provided basis for its clinical application and drug development.
研究领域:
生药学
·
药物分析
·
网络药理学
·
中医药
·
神经药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 1
·e70284
·
IF 1.7
Bai Yutao,Li Xin,Li Yun,He Jin,Song Wenling,Huang Xin
Preeclampsia (PE) is a severe hypertensive disorder of pregnancy involving complex metabolic disturbances. This study aimed to elucidate PE's pathogenesis and aspirin's preventive mechanism using metabolomics and network pharmacology. The untargeted urinary metabolomics via ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) were performed on healthy pregnant women ( n = 11), PE patients ( n = 9), and potential PE patients with aspirin intervention ( n = 12). Multivariate analysis identified 162 differential metabolites. The PE group exhibited a distinct metabolic profile characterized by dysregulation in tryptophan, purine, arachidonic acid, and quinone pathways, contributing to increased oxidative stress, vasoconstriction, platelet aggregation, and inflammation. Notably, aspirin intervention reversed the levels of 28 key metabolites. Its primary preventive mechanism was associated with the targeted modulation of tryptophan metabolism and one-carbon pool by folate, which appeared to inhibit the serotonin synthesis pathway and improve endothelial function. Importantly, both metabolomics and network pharmacology identified the one-carbon metabolic and tryptophan metabolism pathways as key preventive targets for PE, corroborating their role in aspirin's mechanism. In conclusion, this study revealed a “metabolic network imbalance” in PE and confirmed that aspirin conferred specific protection to metabolism. These findings offered new insights for multitarget prevention strategies for PE and the development of diagnostic systems for metabolic biomarkers.
研究领域:
妇产科学
·
代谢组学
·
药理学
·
生殖医学
·
系统生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 1
·e70254
·
IF 1.7
Jie Shen,Lin Zhang,Jianbang Wu,Yan Zhou,Minhui Wang,Changmao Wang,LingLing Zhu,Yaqin Wang,Ping Wu,Xiaocui Xia,Wanyu Wang,Yamin Liu,Yuanwei Jia
A simple, sensitive and efficient ultra performance liquid chromatography–mass spectrometry (UPLC–MS/MS) method for simultaneous quantitative determination of olmesartan and hydrochlorothiazide in human plasma has been developed and validated. Using olmesartan-d 4 and hydrochlorothiazide- 13 C-d 2 as stable isotope-labeled internal standard (SIL-IS). Plasma samples were processed by protein precipitation. Separated on a ZORBAX Eclipse XDB-Phenyl column (150 mm × 4.6 mm, 5 μm) using a gradient elution with mobile phases methanol and 5 mM ammonium acetate. Detected by electrospray ionization (ESI) in negative ion mode of multiple reaction monitoring (MRM), mass transition ion pairs were m/z 445.1 → 149.0 for olmesartan, m/z 295.9 → 204.9 for hydrochlorothiazide, m/z 449.1 → 149.1 for olmesartan-d 4 , and m/z 301.0 → 272.0 for hydrochlorothiazide- 13 C-d 2 . Linear ranges were 10–2000 ng/mL for olmesartan and 1.5–300 ng/mL for hydrochlorothiazide. Mean recoveries of olmesartan, hydrochlorothiazide, olmesartan-d 4 , and hydrochlorothiazide- 13 C-d 2 were 91.31%, 99.34%, 92.62%, and 98.61%, respectively. Our method was well validated in selectivity, carryover, lower limit of quantification (LLOQ), calibration curve, accuracy, precision, dilution effect, matrix effect (normal, hyperlipidemic, and hemolyzed matrices), stability, recovery, and IRS. It was successfully applied in a bioequivalence study of olmesartan medoxomil and hydrochlorothiazide tablets (20/12.5 mg) in healthy Chinese volunteers.
研究领域:
药物分析
·
临床药理学
·
生物分析化学
·
色谱-质谱分析
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 1
·e70278
·
IF 1.7
Junni Fan,Yu Li,Ge Wang,Qian Li,Minfeng Fang
This study employed an affinity chromatography approach to investigate the potential molecular mechanism of the Albiziae Cortex and Polygoni Multiflori Caulis herbal pair, which is commonly used for treating insomnia. Briefly, the haloalkane dehalogenase and its substrate were fused separately onto the serotonin 1A receptor and amino microspheres. Receptors were bound onto chromatographic stationary phases specifically through biological orthogonal interactions. Subsequently, catechin, methyl-O-digalloyl-hexose, 2,3,5,4′-tetrahydroxystilbene-2-O-β-D-glucoside (THSG), and julibroside J 35 were identified as active components in the herbal pair extract targeting the receptor. A mice model of insomnia was used to validate the anti-insomnia effects. The herbal-pair extract, catechin, and THSG significantly reduced sleep latency and increased sleep duration. Furthermore, on-column analysis and molecular docking revealed the binding characteristic. Adsorption isotherm analysis indicated a homogeneous binding process, which was further supported by injection amount-dependent analysis. The latter also provided binding constants of (5.70 ± 0.61) × 10 5 M −1 for catechin and (4.05 ± 0.20) × 10 5 M −1 for THSG. Molecular docking revealed critical binding residues (Asp116, Val117, Thr121, Lys191, Thr196, and Ser199), primarily via van der Waals forces and hydrogen bonds. Collectively, immobilizing the serotonin 1A receptor enables the screening of biologically active compounds from complex systems effectively and shows a degree of general applicability.
研究领域:
生药学
·
天然产物化学
·
神经药理学
·
色谱分析
·
分子对接
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 1
·e70320
·
IF 1.7
Ying Ma,Yu Yao,Yue Pu,Hong Chen,Juan Zhang
Parkinson's disease (PD) is a progressive neurodegenerative disorder marked by the loss of dopaminergic neurons in the substantia nigra and the pathological accumulation of α-synuclein (α-Syn). Rotenone, a mitochondrial complex I inhibitor, reliably reproduces these hallmark features and is therefore widely used to establish experimental PD models. Shiliuwei Kangchanzhijing capsules (SLW-KCZJ capsules), a traditional Chinese medicine (TCM) formulation comprising 16 herbal components, were specifically developed for PD management. This study systematically evaluated the neuroprotective effects and underlying mechanisms of SLW-KCZJ in a rotenone-induced PD mouse model. SLW-KCZJ treatment significantly improved movement distance and balance–coordination, attenuated neuronal loss in the substantia nigra, and markedly suppressed neuroinflammatory responses. At the molecular level, the capsules increased tyrosine hydroxylase expression by approximately 200% and elevated Parkin and protein phosphatase 2A levels by approximately 60% and 80%, respectively. In contrast, they robustly inhibited polo-like kinase 2 expression and reduced α-Syn levels by approximately 60% and 40%. The intervention also increased striatal dopamine (DA) and homovanillic acid levels while lowering neurofilament light chain and oligomeric α-Syn. In summary, this study provides the first evidence that SLW-KCZJ capsules exert neuroprotective effects by modulating the Parkin/PP2A/α-Syn signaling pathway, offering a promising TCM-based therapeutic strategy for PD.
研究领域:
神经科学
·
药理学
·
中医中药
·
神经退行性疾病
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 2
·e70287
·
IF 1.7
Hao Cheng,Danrui Han,Lifang Xu,Longxiang Li,Donglai Ma,Pingping Chen,Xuhong Duan
Cnidii Fructus (CF) is a Chinese herbal medicine with bioactive immune properties and potential applications in treating ulcerative colitis (UC), but its well-defined bioactive constituents are understudied. The current study aimed to investigate CF's anti-UC bioactivity and elucidate its bioactive constituents via chromatographic analysis, in vitro/in vivo tests, and spectrum-effect analysis. Results showed 10 batches of CF inhibited the inflammatory response induced by lipopolysaccharide (LPS)–stimulated RAW 264.7 macrophages. High-performance liquid chromatography (HPLC) fingerprint profiles of the 10 batches were established, with 16 common peaks identified. Subsequently, 15 of these peaks (including eight reference-validated compounds) were characterized by ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS). Four anti-UC-related compounds were identified via spectrum-effect relationships, namely, diosmin, xanthotoxol, imperatorin, and osthole. Experimental verification confirmed these as key components potentially linked to alleviating inflammatory responses in UC. This study is the first to establish a spectrum-effect relationship for CF's anti-UC effects, identify its critical active constituents, and provide a scientific basis for CF quality control and UC therapeutic development.
研究领域:
生药学
·
天然产物化学
·
炎症性肠病
·
中药学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2018
·Vol. 32
·期 10
·e4320
·
IF 1.688
Yifeng Qin,An Kang,Guisheng Zhou,Huan Wang,Wei Wei,Yujie Cao,Yanyan Chen,Jing Wang,Yajun Shi,Yuping Tang,Jianqin Jiang
Carboxylesterase and UDP-glucuronosyltransferase-mediated metabolism of irinotecan (CPT-11) has long been proposed to be responsible for its anti-tumor activity and toxicity, like delayed-onset diarrhea. However, recent studies failed to gain more comprehensive in vivo and in vitro pharmacokinetic profiles of irinotecan. Herein, we use rat plasma, human liver microsomes and immortalized HepG2 cell as experimental subjects to describe a sensitive and versatile UHPLC–MS/MS method for simultaneously quantifying CPT-11 and its metabolites, including SN-38 and SN-38G. The method was applied to investigate the pharmacokinetic and metabolic behavior of CPT-11 in the biological samples. Calibration curves for all bio-matrices showed acceptable linearity ( r 2 > 0.99). The intra- and inter-day precisions (RSD, %) were within 15% and the excellent accuracy (RE) was between 2.96 and 14.12%. In addition, the specificity, matrix effect and extraction recovery all met the requirements of biological sample analysis. We successfully applied this method to investigate the pharmacokinetics of irinotecan in various biological samples, mediated by carboxylesterase and UDP-glucuronosyltransferase. This method could be employed in monitoring the metabolic status and clinical efficacy of irinotecan in the future.
研究领域:
药理学
·
临床医学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2021
·Vol. 35
·期 12
·e5211
·
IF 1.902
Yan Gou,Zhao Geng,Lian Zhong,Jinchao Wei,Juanru Liu,Xiaohong Deng,Min Li,Jun Yuan,Yitao Wang,Li Guo
Chiral compounds commonly exist in traditional Chinese medicine (TCM), but little research on the quality control of TCM has been conducted. In this study, a new strategy is proposed, taking Yuanhuzhitong tablet [YHZT, consisting of Radix Angelicae Dahuricae and Rhizoma Corydalis (Yan Hu Suo, YHS)] for example, which is based on chiral isomer ratio analysis to monitor the production process of Chinese patent medicine companies. In the process of content determination for tetrahydropalmatine (THP) in YHZT from different companies, noticeable differences were observed in their chromatographic behaviors. It is known that THP has two enantiomers, naturally coexisting in YHS as a racemic mixture, so we prepared THP twice and subsequently performed chiral separation analysis using supercritical fluid chromatography. As a result, the peak area ratios of two enantiomers from different companies varied remarkably, demonstrating that some companies did not probably manufacture YHZT products in accordance with the prescription proportion, used inferior or extracted YSH crude materials in the production process, and added raw chemical medicine in the production to reach the standard and lower the costs. In conclusion, the peak area ratio of chiral isomers could be taken as a key quality index.
研究领域:
药学
·
中医药学
✓ 已验证
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2015
·Vol. 30
·期 1
·81-84
·
IF 1.723
Congcong Wen,Meiling Zhang,Yuan Zhang,Fa Sun,Jianshe Ma,Lufeng Hu,Guanyang Lin,Xianqin Wang
In this study, we developed a brain metabolomic method, based on gas chromatography–mass spectrometry (GC/MS), to evaluate the effect of ketamine on rats. Pattern recognition analysis, including both principal component analysis and partial least squares-discriminate analysis revealed that ketamine induced metabolic perturbations. Compared with the control group, the levels of glycerol, uridine, cholesterol in rat brain of the ketamine group (50 mg/kg, 14 days) decreased, while the urea levels increased. Our results indicate that metabolomic methods based on GC/MS may be useful to elucidate ketamine abuse through the exploration of biomarkers. Copyright © 2015 John Wiley & Sons, Ltd.
研究领域:
药理学
·
代谢组学
·
神经科学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）