JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2025
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IF 2.8
Cuiyao He,Saisai Ling,Ying Jin,Lisha Fu,Xiaoke Dai,Xiaohui Qi,Yiying Wu,Zhenglei Wang,Yuhua Deng
Piperacillin/tazobactam and metronidazole are two commonly antimicrobials used to prevent and treat infections after liver transplantation in pediatric patients. However, under the recommended dose, it may lead to insufficient antimicrobial treatment and poor efficacy. To achieve antimicrobial therapy based on pharmacokinetic strategies, a rapid and highly sensitive ultra-high performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) method was developed to measure the plasma concentrations of piperacillin, tazobactam, and metronidazole in pediatric liver transplant recipients. Sample separation was achieved using an Acquity UPLC CSH C 18 column (2.1 × 50 mm, 1.7 μm) with gradient elution. The mobile phase consisted of ammonia solution–formic acid–water (0.5:1:1000, v / v /v) and methanol–acetonitrile (1:1, v/v). The plasma concentration range was 0.20–100.00 μg/mL, with good linear range. The intra- and inter-day precisions were less than 13.4 %, and the accuracy ranged from 90.0 % to 109.0 %. The selectivity, carryover, dilution integrity, matrix effect, recovery, and stability met the requirements of the relevant guidelines. The established UPLC–MS/MS method was successfully applied to measure the concentrations of piperacillin, tazobactam, and metronidazole in the plasma of pediatric liver transplant patients. The results showed that according to the recommended dosing regimen, piperacillin/tazobactam reached the effective therapeutic target of 50 %T > MIC in only 4 h. The maximum plasma concentration (C max ) of metronidazole ranged from 9.46 to 28 μg/mL, with an average C max of 16.59 μg/mL, which did not achieve the ideal C max /MIC ratio of 8–10.
研究领域:
临床医学
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药理学
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移植学
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
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2025
·Vol. 39
·期 5
·e70055
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IF 1.7
Nan Guo,Sheng Hu,Yahui Zhang,Wen Zhang,Dejun Li,Yue Tang,Zijian Tai,Xin Guo,Bing Leng
Tigecycline has been widely used for treating infections caused by multidrug resistant bacteria, but the dosage and intrapulmonary distribution were still controversial. In this study, a UPLC–MS/MS method was established and fully validated to quantify tigecycline in human plasma and BALF. A simple and rapid protein precipitation was used to extract the analytes from plasma and BALF samples. Then, tigecycline and IS were separated on a SHIMADZU AQ-C18 column and detected using electrospray ionization positive ion mode using the transitions of m / z 586.3 → 513.2 m / z for TGC and 458.0 → 441.0 m / z for minocycline (IS). The linearity of the calibration was in the range of 20–2000 ng/mL in plasma and BALF. The validated method was successfully applied to investigate pharmacokinetic characteristics of tigecycline in critically ill patients. The results suggested that after intravenous administration of 100-mg q12h tigecycline, the AUC 0–12 was 3663.02 ± 2075.84 ng × h/mL and C ss,av was 305.25 ± 172.99 ng/mL; the average plasma concentration/ELF concentration ratio was 3.66. Significant individual differences and highly variable pharmacokinetic properties were observed, indicating that adjustment of dosing regimens according to therapeutic drug monitoring is effective and efficient to guarantee the drug efficacy and safety especially for critically ill patients.
研究领域:
临床医学
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药理学
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DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
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2025
·
IF 3.8
Xie Baogang,Zhan Dujuan,Wu Le,Wang Lele,Lei Yongrong,Liu Meng,Liu Xiaodan,Li Suping
Congenital heart disease (CHD) poses significant clinical challenges due to limitations in early prenatal diagnosis. This study aimed to identify serum metabolic biomarkers for CHD using a combined metabolomics approach. Serum samples from 55 pregnant women carrying fetuses with confirmed CHD (CHDP group) and 49 healthy controls (ZCP group) were analyzed via non-targeted 1 HNMR metabolomics, revealing distinct metabolic profiles. Six choline pathway metabolites were further quantified by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Among these, N,N-dimethylglycine (DMG) exhibited the most significant reduction in the CHDP group (1.07 ± 0.03 vs. 1.55 ± 0.04 µg/mL, p < 0.001), with an area under the ROC curve (AUROC) of 0.883 in the discovery cohort. Validation in an independent cohort (58 CHDP vs. 62 ZCP) confirmed DMG’s diagnostic potential (AUROC = 0.818). While betaine-homocysteine methyltransferase 2 (BHMT2) activity showed no intergroup differences, DMG’s consistent performance highlights its utility as a non-invasive biomarker. This study underscores the clinical value of metabonomics in prenatal CHD screening and establishes DMG as a promising diagnostic marker, potentially improving early detection and perinatal management. Graphical abstract
研究领域:
代谢组学
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儿科心脏病学
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产前诊断
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生物医学研究
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DOI
PubMed
高影响因子
RSC Advances
·
2024
·Vol. 14
·期 12
·8303-8312
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IF 3.9
Na Li,Mengnan Liang,Hao Zhang,Zhongxia Hua,Ling Ma,Yanyu Qi,Ke Wang
The excessive use of quinolones (QNs) has seriously threatened human health. In this study, a novel functionalized magnetic covalent organic framework Fe3O4@SiO2@Ah-COF was fabricated with biphenyl-3,3′,5,5′-tetracarbaldehyde and hydrazine hydrate (85%) as monomers and was used as a magnetic solid-phase extraction (MSPE) absorbent for the determination of 24 QNs in water and egg samples through ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The extraction parameters of MSPE were optimized, including pH, adsorbent dosage, adsorption time, and eluent type. An effective and rapid detection method was then established, which showed good linearity (R2 ≥ 0.9990), low limits of detection (0.003–0.036 μg L−1) and low limits of quantitation (0.008–0.110 μg L−1) for QNs. The good recoveries of 24 QNs in water and egg samples were in the range of 70.3–106.1% and 70.4–119.7%, respectively, with relative standard deviations lower than 10% (n = 5). As a result, Fe3O4@SiO2@Ah-COF is a promising magnetic adsorbent, and the established method was successfully applied for the determination of 24 QNs in water and egg samples.
研究领域:
分析化学
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环境科学
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食品科学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2021
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IF 7.514
Pei Yu,Yini Yang,Jinyuan Sun,Xiao Jia,Chang Zheng,Qi Zhou,Fenghong Huang
Volatile sulfur-containing compounds (VSCs) provide an important contribution to foods due to their special odors. In this study, VSCs in 21 cold-pressed rapeseed oils (CROs) from 9 regions in China were extracted and separated by headspace solid-phase microextraction combined with gas chromatography coupled with sulfur chemiluminescence detection. 19 VSCs were identified by authentic standards, and the total concentration of VSCs in all CROs ranged from 49.0 to 18129 μg/kg. Dimethyl sulfide (DMS), with its high odor activity value (7–14574), was the most significant aroma contributor to the CROs. Furthermore, S-methylmethionine (SMM) in rapeseed was first affirmed by ultra-performance liquid chromatography–tandem mass spectrometry and isotope quantitation. The positive correlation coefficient between DMS and SMM was 0.793 ( p < 0.05), which confirmed SMM as a crucial precursor of DMS in CROs. This study provided a theoretical basis for selecting rapeseed materials by the distribution of essential VSCs and the source of DMS.
研究领域:
食品科学
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分析化学
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PubMed
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
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2025
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IF 11.3
Lingxuan Ma,Fan Nie,Sheng Gong,Yudi Wang,Di Chen,Zijian Wang,Peng Li,Jinchao Wei
Plant growth regulators (PGRs) are extensively deployed in medicinal and edible plants (MEPs) to enhance yields, yet their environmental persistence and potential ecotoxicological effects have raised significant public health concerns. However, current regulatory frameworks remain deficient in PGR-specific residue limits and cross-matrix surveillance tools. Herein, a data modeling-driven broad-spectrum analytical platform was engineered for comprehensive occurrence mapping and dietary exposure assessment of PGRs. Global optimization was achieved through simplex lattice mixture design combined with Derringer’s desirability function, enabling all-inclusive mixed-mode solid-phase extraction (MMSPE) for 64 PGRs (Log K ow −3.80–5.68) across diverse polarity/ionization domains. Integrated with ultra-performance liquid chromatography-triple quadrupole-tandem mass spectrometry (UPLC-QqQ-MS/MS), the MMSPE-UPLC-MS/MS platform facilitated rapid quantification of multi-class PGRs (auxins, cytokinins, gibberellins, brassinosteroids, and growth retardants) in seven MEP matrices. Limits of quantification ranged from 0.016 to 14.392 μg/kg, with average recoveries of 68.93%–118.07% and relative standard deviations of 0.47%–12.88%. Among 140 commercial samples, 30 PGRs were detected (0.07–6392.80 μg/kg), revealing pervasive cross‑matrix contamination and elevated environmental exposure of both endogenous hormones and several synthetic PGRs. Hazard quotient/index-based risk assessments indicated generally acceptable population‑level exposure risk, but highlighted matrix‑dependent risk drivers, with tebuconazole, diuron and paclobutrazol dominating cumulative exposure in specific MEPs. Collectively, this work provided a powerful panoramic screening tool for uncovering cryptic chemical burden in complex herbal matrices, thereby establishing a scientific foundation for prioritizing control lists and refining toxicological benchmarks.
研究领域:
分析化学
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环境科学
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食品安全
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药学
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毒理学
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农业化学
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公共卫生
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PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
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2019
·Vol. 20
·期 16
·3875
·
IF 4.183
Meng Pan,Qicheng Lei,Ning Zang,Hong Zhang
The discovery of medicinal plants is crucial for drug development.Eucalyptus globulusleaves are used as a traditional medicine in many areas of world due to herbicidal and insecticidal activity. While natural products are difficult to be separated and activity assayed, a new approach is needed to predict the active ingredients therein. In this study, a new method for screening active compounds extracted fromE. globulusleaves was developed by GC-MS/MS and UPLC-MS/MS combined with molecular docking technology. Predicted compounds with high activity were proposed. Firstly, 35 volatile compounds and 34 aqueous extracted compounds were extracted fromE. globulusleaves, and identified by GC-MS/MS and UPLC-MS/MS. The herbicidal receptor (1BX9) was then docked with the identified compounds by docking software, evaluated by docking models and seven scoring functions. The results showed that gallic acid had a strong inhibitory activity of 1BX9, which was speculated to be the main reason for the inhibitory effect ofE. globulusleaves. Finally, allelopathic tests of gallic acid, citric acid, and isopulegol were carried out on grass seeds to verify its inhibitory activity against herbicide receptor 1BX9. The results show that the method can screen compounds with specific activity from a complex system of medicinal plants, which is very important for the screening of new active ingredients, confirmation of new medicinal ingredients, and the in-depth development of animal and plant medicines.Keywords:Eucalyptus globulus;GC-MS/MS;UPLC-MS/MS;molecular docking;allelopathic test
研究领域:
植物化学
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药物开发
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生物信息学
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2026
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IF 3.1
Meichen Liu,Yalin Yu,Yifei Jing,Yingxia Guo,Chuya Wang,Hongyu Xue,Hong Liu,Lei Yin,Meiyun Shi
While polyethylene glycol (PEG) is an extensively utilized pharmaceutical polymer with established biocompatibility and regulatory acceptance, the in vivo pharmacokinetics of its bifunctional derivatives, such as α,ω-dipropionic acid polyethylene glycol (PA-PEG-PA), remain largely unexplored. This study presents the development and validation of a highly sensitive and selective UPLC-MS/MS method for the accurate quantification of PA-PEG 12 -PA in various biological matrices, utilizing a straightforward protein precipitation protocol. After intravenous administration in rats (10 mg/kg), PA-PEG 12 -PA demonstrated rapid clearance (t 1/2 = 3.99 ± 1.06 h). Tissue distribution analysis revealed a pronounced affinity for renal accumulation, with kidney concentrations (16473 ± 881 ng/g at 2 h) substantially surpassing those in the liver and lungs, followed by rapid depletion within 24 h. Excretion studies indicated renal clearance as the dominant pathway, with 55.93 % of the administered dose recovered unchanged in urine over 72 h, while fecal excretion was minimal (1.76 %). This work provides the first comprehensive pharmacokinetic and biodistribution profile of PA-PEG 12 -PA, underscoring its renal-driven clearance and tissue disposition. The findings offer crucial insights for the rational design of PEGylated drug delivery systems, and the robust UPLC-MS/MS assay established herein serves as a valuable tool for characterizing polymeric excipients in biological environments.
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高影响因子
MICROCHEMICAL JOURNAL
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2026
·
IF 5.1
Shi Wang,Wen-xin Zheng,Zhi-ming Xiao,De-cheng Suo,Jian-chun Xie,Run-xian Li,Yu-chao Feng,Xia Fan
β 2 -agonists are a class of synthetic phenethanolamine compounds that pose multiple risks to public health. In this study, a dual-template magnetic molecularly imprinted polymer (Dual-T Fe₃O₄@MIP) approach was developed to enable the simultaneous detection of 33 β₂-agonists in swine urine and muscle tissues, with preliminary validation of its applicability in complex biological matrices. Briefly, samples were sheared and homogenized, followed by enzymatic hydrolysis using β-glucoronidase/arysulfatase in ammonium acetate buffer at 55 °C for 4 h. Thereafter, β 2 -agonists in the hydrolysate were extracted with the Dual-T Fe 3 O 4 @MIPs and eluted with an acidic methanol solution. The target compounds were quantified by UPLC-MS/MS equipped with an HSS T3 column (100 mm × 2.1 mm, 1.8 μm). The method was further validated in urine and muscle samples, demonstrating excellent linearity (R 2 ≥ 0.9944), high sensitivity (limit of detection ranging from 0.010 to 0.034 μg/kg, limit of quantitation ranging from 0.024 to 0.100 μg/kg), satisfactory recovery (ranging from 82.1% to 107%), and good precision (≤9.1%). Compared with the conventional solid-phase extraction method, which requires 3 h, the proposed method achieved purification in less than 30 min, representing a substantial improvement in analytical efficiency. The proposed approach is reliable, rapid, and user-friendly, making it suitable for routine analytical applications.
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高影响因子
RSC Advances
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2026
·Vol. 16
·期 20
·18657-18665
·
IF 6.1
Lu Li,Na Li,Wendan Niu,Aijing Guo,Ling Ma,Wei Zhao,Yawei Zhang,Ke Wang
β-Lactams (β-LAs) are a class of widely used antibiotics. However, their residues in food may pose a threat to human health. Therefore, it is of great necessity to develop a method that can sensitively and effectively detect β-LAs at trace levels in complex matrices. In this study, a novel functionalized magnetic covalent organic framework was synthesized based on biphenyl-3,3′,5,5′-tetracarbaldehyde and p-phenylenediamine. This material was used as an adsorbent for the effective extraction of 9 β-LAs in water and milk samples, which were analyzed by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The experimental parameters were optimized, then the sensitive and accurate detection method was developed with excellent linearity (R2 ≥ 0.9990), low limits of detection (0.001–0.347 µg L−1) and limits of quantitation (0.002–1.051 µg L−1) for β-LAs. Meanwhile, good recoveries (71.7–118.8%) of 9 β-LAs in water and milk samples were obtained with the relative standard deviations (RSD) <10% (n = 5). In conclusion, Fe3O4@SiO2@Ap-COF can be regarded as an effective magnetic adsorbent, and the established method holds significant promise for rapid detection of 9 β-LAs in water and milk samples.
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2025
·
IF 3.1
Xiao-han Peng,Yan-lin Zhao,Zhong Huang,Xin-feng Xia,Kun Wang,Peng Jin,Yan Du,Dao-quan Tang
Currently, treatment with antiepileptic drugs (AEDs) is still the first choice for epileptic patients, while monitoring their blood concentrations is undoubtedly beneficial for minimizing their adverse side effects and optimizing their therapeutic effects. In this study, an ultra-high performance liquid chromatography coupled with tandem mass spectrometry with polarity switching was developed and validated for simultaneous determination of 14 AEDs and 2 active metabolites in human serum. Olanzapine was selected as the internal standard. One-step protein precipitation using methanol containing 0.05 % formic acid was used to treat sample, and the supernatant was injected for analysis without further evaporation and reconstitution. Chromatographic separation was performed on an Aglient Zorbax Eclipse Plus C18 (50 mm × 2.1 mm, 1.8 μm) column with gradient methanol and 0.1 % formic acid in water as mobile phase. Multi-reaction monitoring was performed for quantification of 16 analytes in polarity switching mode. Matrix-matched calibration curves of 16 analytes presented good linearity within the test concentration range ( r > 0.99). The intra- and inter-run accuracies and precisions at the lower limit of quantification, and low, medium and high quality control levels were all less than 20 % or 15 %, respectively. The extraction recovery, matrix effect, and stability were all acceptable under detected conditions. Finally, this method was successfully applied in the quantitation of target analytes in the serum of patients received AEDs.
研究领域:
药理学
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临床医学
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分析化学
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DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2024
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IF 4.8
Tao Chen,Xian Zhou,Minxing Zhu,Xueting Chen,Dennis Chang,Yifan Lin,Wen Xu,Yanfang Zheng,Shaohua Li,Jianyuan Song,Mingqing Huang
Ethnopharmacological relevance Bronchitis is a respiratory disease characterized by a productive cough. Polygala tenuifolia Willd., commonly known as Yuan zhi , is a traditional Chinese herbal medicine used for relieving cough and removing phlegm. Despite its historical use, studies are lacking on the effectiveness of P. tenuifolia in treating bronchitis. Furthermore, the molecular mechanisms underlying the action of its bioactive compounds remain unknown. Aim of the study This study aims to identify the main bioactive compounds responsible for the effects of P. tenuifolia liquid extract (PLE) in treating bronchitis and to elucidate the associated molecular mechanisms. Materials and Methods The main chemical compounds in PLE were identified and determined using ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS). The antitussive, expectorant and anti-inflammatory activities of PLE were evaluated in an ammonia-induced mouse cough model, a tracheal phenol red excretion mouse model, and a xylene-induced ear swelling mouse model, respectively. A network pharmacology analysis was conducted to investigate the associated gene targets, gene ontology, and KEGG pathways related to the main bio-actives in PLE targeting bronchitis. PLE and its five bioactive compounds were assessed for their potential anti-inflammatory activities in lipopolysaccharide (LPS)-stimulated RAW264.7 cells. Western blot analysis was conducted to elucidate the associated molecular mechanisms. Results Thirty-seven compounds in PLE were identified, and twelve main compounds were further quantified in PLE using UPLC-MS/MS. PLE oral gavage administrations (0.6 and 0.12 mg/kg) for 7 days markedly reduced cough frequency, prolonged latency period of cough, reduced phlegm and inflammation in mice. The network pharmacology analysis identified 57 gene targets of PLE against bronchitis. The PI3K/AKT and MAPK signalling pathways were the top two modulated pathways. In RAW264.7 cells, PLE (12.5-50 μg/mL) significantly reduced cyclooxygenase-2 (COX-2), inducible nitric oxide synthase (iNOS), interleukin (IL)-1β, IL-6 and tumor necrosis factor (TNF)-α. PLE downregulated LPS-elevated protein targets in both PI3K/AKT and MAPK signaling pathways. In PLE, tenuifolin, polygalaxanthone ⅠⅠⅠ, polygalasaponin ⅩⅩⅤⅢ, tenuifoliside B, and 3,6’-Disinapoyl sucrose, were identified as the top five core components responsible for treating bronchitis. These compounds were also found to modulate the protein targets in the PI3K/AKT and MAPK signalling pathways. Conclusions This study demonstrated the potential therapeutic effects of PLE on bronchitis by reducing cough, phlegm and inflammation. The anti-inflammatory action and molecular mechanisms of the 5 main bioactive compounds in PLE were partly validated through the in vitro assays. The findings provide valuable insights into the mechanisms underlying the traditional use of PLE for bronchitis.
研究领域:
药理学
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中药学
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分子生物学
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分析化学
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）