BIOMEDICAL CHROMATOGRAPHY
·
2017
·Vol. 31
·期 8
·e3937
·
IF 1.613
Ting Cui,Hong-Mei Qiu,Dan Huang,Qi-Xin Zhou,Xiao-Yan Fu,Hai-Yan Li,Xin-Hui Jiang
The determination of amino acids with actions like neurotransmitters or modulators has been increasingly important for diagnosis in many neuropsychiatric diseases. A rapid and simple high-performance liquid chromatography with fluorescence detection method was developed for simultaneous determination of seven amino acids: aspartate (Asp), glutamate (Glu), serine (Ser), glutamine (Gln), glycine (Gly), taurine (Tau) and γ-aminobutyric` acid (GABA). Homoserine was used as an internal standard. The analysis was performed on a BDS column with methanol and 50 m m sodium acetate solution (pH 6.5) using a simple gradient elution. Several parameters of the developed method were validated including linearity, accuracy, precision, extraction recovery and stability, which were within the acceptable range. The method was successfully applied to determination of real samples: hippocampus and cortex in depressed rats exposed to chronically unpredictable stress in order to study if there existed differences in the seven amino acids levels between depressed rats and control. The results showed that Asp, Gly, Tau and GABA significantly decreased with increasing Gln in the hippocampus of depressed rats, compared with that of the control group, among which obviously lower level of Asp and higher level of Gln in cortex were observed. The analytical method and the results could be useful for clinical diagnosis and further insight into pathophysiological mechanism of depression.
研究领域:
神经科学
·
分析化学
·
精神病学
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DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2020
·Vol. 34
·期 8
·e4845
·
IF 1.728
Yubin Ji,Hongjun Luo,Hui Li,Zhexuan Lin,Wenhong Luo
An ultra-high performance liquid chromatography tandem mass spectrometry method was developed for determination of homocysteine (HCY) in human plasma. The HCY was derivatized with 2-chloro-1-methylquinolinium tetrafluoroborate and isolated using solid-phase extraction. Derivatization, isolation and detection procedures were optimized. Satisfactory linearity was obtained with determination coefficients ( r 2 ) >0.999. The intra- and inter-day precisions were in the interval of 1.2–5.1% and accuracy was within ±7%. Mean recoveries were close to 100%. The limit of detection and the limit of quantification were 0.46 and 1.38 μmol/L, respectively. The method was then applied to investigate the relationship between plasma HCY and whole blood 5-methyltetrahydrofolate levels in healthy volunteers. The results revealed that the plasma level of HCY was significantly negatively correlated to whole blood 5-methyltetrahydrofolate in volunteers.
研究领域:
医学检验
·
营养学
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DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2019
·Vol. 34
·期 1
·e4703
·
IF 1.748
Shuangshuang Sun,Dongfang Cheng,Shumeng Kong,Xiangping Li,Tongfang Li,Qinglong Yu,Lin Wang
Ibrutinib has an excellent effect in the treatment of mantle cell lymphoma so it has attracted much attention. A novel ibrutinib nanocrystalline was exploited in our study to improve the bioavailability. A fast and reliable UPLC–MS/MS method was established for the accurate quantification of ibrutinib in rat plasma. The chromatographic separation was achieved by an Agilent zorbax SB-C 18 rapid solution HD column (2.1 × 50 mm, 1.8 μm). The mobile phase consisted of deionized water (containing 10 m m ammonium acetate and 0.1% formic acid) and pure acetonitrile. Isocratic elution (water–acetonitrile 10:90, v/v) was adopted and the flow rate was 0.4 mL/min. Column temperature was set to 40°C. Vilazodone was used as the internal standard in this analytical method. Multiple reaction monitoring mode with positive electrospray ionization was selected to detect ibrutinib and vilazodone. Acetonitrile was used to precipitate protein to extract plasma samples. There was no endogenous interference for both ibrutinib and vilazodone and the linear range of this method was 1–2000 ng/mL. The recoveries were 98.4, 97.4 and 102.7% at low, medium and high concentrations. Accordingly, the matrix effect was 96.6, 111.1 and 99.6%. The pharmacokinetic difference between ibrutinib crude and a novel ibrutinib nanocrystalline in rats was investigated by this validated method successfully. The peak concentration and area under the concentration–time curve showed significant differences in gender and the bioavailability was improved after oral administration of ibrutinib nanocrystalline.
研究领域:
药物分析
·
药理学
·
生物医学工程
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DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2024
·Vol. 38
·期 9
·e5957
·
IF 1.8
Yu Yi,Xuewang Gong,Mengyuan Cui,Yuting Liang,Jianfeng Mei,Guoqing Ying,Yinfei Wu
Microbial metabolites are an important source of tyrosinase (TYR) inhibitors because of their rich chemical diversity. However, because of the complex metabolic environment of microbial products, it is difficult to rapidly locate and identify natural TYR inhibitors. Affinity-based ligand screening is an important method for capturing active ingredients in complex samples, but ligand immobilization is an important factor affecting the screening process. In this paper, TYR was used as ligand, and the SpyTag/SpyCatcher coupling system was used to rapidly construct affinity chromatography vectors for screening TYR inhibitors and separating active components from complex samples. We successfully expressed SpyTag–TYR fusion protein and SpyCatcher protein, and incubated SpyCatcher protein with epoxy-activated agarose. The SpyTag–TYR protein was spontaneously coupled with SpyCatcher to obtain an affinity chromatography filler for immobilization of TYR, and the performance of the packaging material was characterized. Finally, compound 1 with enzyme inhibitory activity was successfully obtained from the fermentation product of marine microorganism C. Through HPLC, MS, 1 H NMR and 13 C NMR analyses, its structure was deduced as azelaic acid, and its activity was analyzed. The results showed that this is a feasible method for screening TYR inhibitors in complex systems.
研究领域:
生物化学
·
药物化学
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 8
·e70547
·
IF 1.7
Yi Zhou,Yuxin Wu,Chenyao Xu,Chenbin Zhang,Congcong Wen,Xianqin Wang,Jianbo Li
Loureirin D is a bioactive dihydrochalcone isolated from Dracaena resin with very high therapeutic value. A sensitive and high-throughput ultra-performance liquid chromatography–mass spectrometry (UPLC–MS/MS) method was developed for the quantitative analysis of loureirin D in rat plasma with only 50 μL of sample per assay. Sample extraction was protein precipitation using acetonitrile, and isoscoparin was used as internal standard (IS). Separation was achieved on the BEH C18 column with a gradient mobile phase of 0.1% (v/v) aqueous formic acid and acetonitrile. Detection was achieved with negative-ion electrospray ionization (ESI) detector in the multiple reaction monitoring (MRM) mode. The method was validated and proved to be linear in the concentration range of 2–2400 ng/mL ( r ≥ 0.995), intraday and interday precision (RSD) was < 15%, and accuracy was 93.3%–110.1%. The extraction recovery was 88.7%–94.4%, and the matrix effects were 87.3%–92.9%. UPLC-MS/MS was used in pharmacokinetics in the rats after administration of loureirin D. The AUC (0– t ) after intravenous administration (1 mg/kg) was 2074.7 ± 180.3 ng · h/mL, and AUC (0– t ) after oral administration (5 mg/kg) was 563.4 ± 61.4 ng · h/mL; the absolute oral bioavailability was 5.4%. Pharmacokinetics showed rapid absorption, large V z / F (52.7 ± 10.7 L/kg), high CL z / F (8.8 ± 0.9 L/h/kg), and extensive first-pass metabolism.
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 9
·e70570
·
IF 1.7
Yi Han,Renbin Li,Baobao Yao,Xuefeng Hou,Shixia Xu,Lizhen Yu,Jun Han,Huidan Huang,Di Cao
Inflammation is a defensive immune response to tissue damage or infection. Polygonatum cyrtonema Hua ( P . cyrtonema Hua, PCH) is bioactive on immune homeostasis due to its rich components and reportedly plays a therapeutic role in the treatment and prevention of diabetes. Flavonoids of PCH possess anti‐inflammatory properties, but their molecular mechanisms remain elusive. Here, chemical profiling of key flavonoids was conducted using UPLC‐QTOF‐MS/MS and the Global Natural Products Social Molecular Networking (GNPS) platform. Network pharmacology predicted potential targets and pathways, validated by molecular docking, surface plasmon resonance (SPR), and western blotting. Totally, 67 compounds were identified, with methylophiopogonanone B (MOB) as the key bioactive flavonoid. Although MOB's anti‐inflammatory activity has been previously noted, the present study provides the first evidence that this effect may be mediated through targeting SRC and modulating the PI3K/AKT signaling axis. Core therapeutic targets were identified as SRC, TNF, and AKT1 by topological analysis of network pharmacology. Molecular docking and SPR confirmed strong MOB‐SRC binding affinity. Western blotting revealed MOB dose‐dependently inhibited LPS‐induced phosphorylation of SRC, PI3K, and AKT1, without altering total protein levels. Furthermore, MOB significantly suppressed the phosphorylation of NF‐κB pathway proteins IκB and p65, confirming the involvement of NF‐κB as a downstream effector. In conclusion, this study integrates chemical profiling and network pharmacology with experimental validation to define the flavonoid composition of PCH, and is the first to implicate the SRC‐PI3K‐Akt pathway in MOB's anti‐inflammatory action and providing novel evidence supporting the mechanism and use of PCH in contemporary diabetes treatment.
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 8
·e70534
·
IF 1.7
Ruyang Cheng,Weining Song,Yu Wang,Yehao Wang,Xiaomin Xu,Fang Lu,Donghua Yu,Pingping Chen,Shumin Liu
In this study, we explored the therapeutic effects and mechanisms of baicalin (BA) in a dibutyltin dichloride (DBTC)–induced chronic pancreatitis (CP) rat model using metabolomics and network pharmacology. The results showed that BA significantly reduced inflammatory cell infiltration and fibrosis in pancreatic tissues, lowered serum levels of interleukin (IL)-1β, IL-6, tumor necrosis factor-alpha (TNF-α), amylase (AMS), and lipopolysaccharide (LPS) and thereby decreased expression of alpha-smooth muscle actin (α-SMA) and fibronectin (FN) in pancreatic tissues. Metabolomic analyses revealed that BA influences multiple metabolic pathways, including glycerophospholipid and arachidonic acid metabolism, in serum and urine. Network pharmacology identified key targets, such as phospholipase A2 group IVA (PLA2G4A) and transient receptor potential vanilloid 4 (TRPV4), which are primarily involved in IL-17 signaling, as well as other pathways beyond inflammation. Further integrated analysis demonstrated that BA inhibits pancreatic stellate cell activation and reduces pancreatic fibrosis by regulating metabolites, such as arachidonic acid, that act on the PLA2G4A/TRPV4 and transforming growth factor-beta 1 (TGF-β1)/SMAD family member 3 (SMAD3) pathways. Molecular docking studies confirmed that BA binds strongly to these targets. In summary, BA exerts anti-inflammatory and antifibrotic effects through multiple targets and pathways, thereby alleviating the pathological progression of CP.
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 6
·e70476
·
IF 1.7
Bixin Shen,Zhenyu Yang,Yixiao Pan,Weijin Yang,Jing Chen
This study combined serum pharmacochemistry, metabolomics, and network pharmacology to uncover potential active components and mechanisms of Shenling Baizhu Powder (SLBZP) in treating ulcerative colitis with spleen deficiency and dampness stagnation (UC-SDDS), providing scientific evidence for its efficacy. Pharmacodynamic investigations demonstrated that SLBZP exhibits substantial anti-inflammatory properties and confers protection to the intestinal barrier in UC-SDDS rat models. Further, 16 active components and six core targets (BCL2, NFKB1, TNF, IL6, AKT1, CASP3) were obtained using serum pharmacochemistry and network pharmacology. Twenty-six differential metabolites in serum and 25 differential metabolites in urine were identified using untargeted metabolomics analyses. Subsequently, nine active components (butein, calycosin-7-o-β-d-glucoside, glabridin, isochlorogenic acid B, naringenin chalcone, naringenin, neoliquiritin, oroxyloside, and vanillic acid) were identified from SLBZP for treating UC-SDDS by integrating network pharmacology and chinmedomics. Molecular docking and dynamics simulation revealed that these compounds exhibit superior binding affinities to six core targets. Finally, the expression levels of AKT1, p-AKT1, mTOR, Caspase 3, TLR2, TLR4, ERK1/2, STAT1, MyD88, NFκB, and BCL2 in colon tissues were detected in UC-SDDS rats treated with SLBZP. The study showed that SLBZP effectively treats UC-SDDS rats by modulating multiple components, targets, and pathways using serum pharmacochemistry, network pharmacology, and metabolomics.
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 6
·e70457
·
IF 1.7
Xiaoming Song,Liyan Zang,Jiamin Li,Zixuan Liu,Jing Sun
Sinopodophyllum hexandrum , a Berberidaceae medicinal herb, contains lignans and flavonoids with anticancer, antibacterial, antiviral, and expectorant activities, and its antioxidant capacity underpins therapeutic effects. This study evaluated the quality and antioxidant capacity of S. hexandrum from 12 Qinghai Plateau origins, and analyzed their correlations with environmental factors. Cluster analysis classified the origins into three groups. Principal component analysis (PCA) showed that the first four principal components contributed a cumulative variance of 86.395%, with podophyllotoxin-4-O-glucoside (PPG) as the main contributor. Orthogonal partial least squares-discriminant analysis (OPLS-DA) further confirmed PPG as a key origin discriminant (VIP > 1). Comprehensive quality evaluation recognized P3 (Huzhu), P2 (Ledu), and P11 (Nangqian 2) as high-quality origins. While antioxidant capacity analysis showed strong activity in P10 (Nangqian 1) samples—with 4′-demethylepipodophyllotoxin (4′-DMEP) as the key related component. Redundancy analysis (RDA) and Mantel Test results showed that component contents (especially quercetin, PPG, and podophyllotoxin [PPT]) and antioxidant capacity of S. hexandrum correlated significantly with environmental factors. Notably, antioxidant capacity correlated significantly with B1 (precipitation supply capacity and temperature fluctuation stability), and quercetin was the most environment sensitive component. This study provides a scientific basis for resource protection, elite germplasm screening, and targeted cultivation of S. hexandrum .
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 6
·e70448
·
IF 1.7
Danhong Zhong,Yiliang Li,Ying Feng,Haidi Wang,Siqi Zheng,Xiaoming Sun,YuanYuan,Yuxin Pang,Xiaomin Tang
Smilax glabra Roxb. (SGR) is the dried rhizome of Smilax glabra Roxb., a member of the Liliaceae family. As evidenced by ancient Chinese medical texts, the efficacy of this substance in the elimination of toxins, the eradication of dampness, and the promotion of joint mobility has been well documented. Modern pharmacological studies indicate that it possesses activities such as lowering uric acid, treating gouty arthritis, addressing immune system disorders, and exhibiting antitumor effects. In this paper, chemometric methods were used to construct the spectral effect relationship between the fingerprints of 15 batches of SGR extracts from different origins and varied in vitro antigouty arthritis activities. The results showed that the chemical composition of the samples from different sources varied significantly, with the samples from Guangxi, Hunan, and Yunnan provinces exhibiting comparatively higher quality. Among the nine common peaks, neoisoastilbin and isoastilbin were considered to be significantly correlated with the antigouty arthritis activity of SGR. The results of this study will offer reference guidelines for the quality control of SGR, thereby providing a scientific basis for its pharmacodynamic foundation and quality assurance.
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 6
·e70452
·
IF 1.7
Xiaoqing Liu,Wenyong Liao,Xiangnan Xu,Meijing Wu,Jiwen Zhang,Yinghao Wu,Shaohong Chen,Haiyan Liu,Shujing Zhang,Linlin Xiu,Gansheng Zhong
Haizao Yuhu Decoction (HYD), a classic Traditional Chinese Medicine (TCM) formula, is used to treat Yingbing, which corresponds to goiter in modern medicine. Although HYD has been extensively studied for goiter, its specific active components and the underlying mechanisms of action remain to be fully elucidated. This study investigated the effects and mechanisms of HYD in goiter using untargeted LC–MS metabolomics (comparing HYD decoction and HYD-containing serum), network pharmacology for target prediction, and in vitro validation with a TSHR human monoclonal antibody M22 (TSHR hMAb M22)-induced thyroid cell proliferation model, followed by Western blotting to verify key pathway proteins. The comparison of metabolomic profiles between HYD decoction and HYD-containing serum revealed that 2091 metabolites (90.05%) were downregulated, while 231 were upregulated in medicated serum. Network pharmacology predicted targets including AKT1, PIK3CA, ESR2, ESR1, and TP53. HYD-containing serum exhibited pro-apoptotic effects on the cell proliferation model. The underlying mechanism may primarily involve the upregulation of the p53/PUMA/p21 pathway, which subsequently affects caspase-3 activity. Furthermore, the action of HYD may involve non-p53 multiple signaling pathways. HYD may exert its effects by modulating multiple signaling pathways, including p53/PUMA/p21, leading to apoptosis in thyroid cells.
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 7
·e70526
·
IF 1.7
Shu-Zhen Chen,Yong-Lin Ma,Dong-Xiao Li,Lian-Lin Yang,Ji-Wen Wang,Qian-Qian Hu,Hong-Liang Ma
This study developed an online HPLC-ABTS method to screen antioxidant phenolic acids in Pandani tectorii radix et rhizoma (PT) from 20 geographical origins. Six common constituents were screened and assigned by standards: neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, isochlorogenic acid B, isochlorogenic acid A, and isochlorogenic acid C. Using these six components as variables, four regression models were constructed to predict ABTS radical scavenging rate: support vector regression (SVR), decision tree regression, K-nearest neighbors (KNN) regression, and extreme gradient boosting (XGBoost) regression. From 80 samples, 64 were used for model development, and 16 were reserved for hold-out validation. Model selection employed 5-fold, nested, and leave-one-out cross-validations, complemented by permutation tests and learning curve analysis. The SVR model performed best, with nested CV R 2 = 0.9298, RMSE = 4.1207, MAE = 2.2313, and an optimism gap of 0.0137. After final tuning (C = 100, gamma = 0.1, and epsilon = 0.5), it achieved R 2 = 0.9000, RMSE = 4.0602, and MAE = 2.2986 on the hold-out set. This efficient and accurate method enables simultaneous screening of antioxidant constituents and prediction of radical scavenging activity, providing a new technical tool and scientific basis for PT quality evaluation.
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PubMed
高影响因子
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