Journal of Chromatography B最新文献

{"title":"Quantitative GC–MS/MS in the clinical analysis of eicosanoids: A critical review and discussion, a 40-years historical retrospect, and possible implications for LC-MS/MS","authors":"Dimitrios Tsikas","doi":"10.1016/j.jchromb.2025.124911","DOIUrl":"10.1016/j.jchromb.2025.124911","url":null,"abstract":"<div><div>Mass spectrometry was a protagonist in the discovery of prostaglandins, thromboxane, leukotrienes and other arachidonic acid-derived molecules, collectively known as the eicosanoids. Mass spectrometry has played a significant role in exploration of their metabolic pathways in humans and animals, in health and disease, and in pharmacotherapy. Clinical researchers in the United States of America and in Europe, in close cooperation with chemist analysts, were the pioneers in the application of gas chromatography–mass spectrometry (GC–MS) and gas chromatography-tandem mass spectrometry (GC–MS/MS) to quantitate eicosanoids and index metabolites in plasma, serum and urine samples from clinical trials by using stable-isotope labeled analogs as internal standards. In the present article, the application of the stable-isotope dilution GC–MS/MS methodology in the quantitative clinical analysis is reviewed. The focus is on prostaglandins, thromboxane, leukotrienes, and their so-called index metabolites for renal and whole-body synthesis of certain eicosanoids such as PGE₂ and its major urinary metabolite (PGE-MUM), respectively. Nowadays, LC-MS/MS, which evolved later than GC–MS/MS, is increasingly used in numerous areas of research, including the eicosanoids in clinical studies. The present work critically discusses the current practice of LC-MS/MS users in the quantitative analysis of eicosanoids in biological samples. While the LC-MS/MS technology offers rapidity and high-throughput analysis, especially due to the renunciation of time-consuming analytical derivatization steps that are required in GC–MS/MS, LC-MS/MS seems to lack sufficient analytical sensitivity, i.e., lower limit of quantitation, for many eicosanoids such as thromboxane B₂ and leukotriene B₄. Reported data on basal concentrations of certain eicosanoids in plasma and urine samples from healthy humans as determined by LC-MS/MS are several orders of magnitude higher than originally reported by pioneering eicosanoid researchers, who developed, validated and used sophisticated, tailored GC–MS- and GC–MS/MS-based analytical methods for individual eicosanoids. Modern eicosanoids researchers would greatly benefit from the milestones and signposts set previously eicosanoids researchers from the very start. A key milestone and signpost is the concentration of primary eicosanoids and their metabolites in plasma, serum and urine samples of healthy humans. Issues for consideration in the GC–MS/MS and LC-MS/MS analysis of eicosanoids are discussed.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124911"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pharmacokinetic assessment and metabolic stability of a novel multi-targeted Clk/Dyrk inhibitor using a validated LC-MS/MS method: In vitro and in vivo insights","authors":"Maryam Soliman ,&nbsp;Noha Mostafa ,&nbsp;Sally Tarek Mahmoud ,&nbsp;Dalia S. El-Gamil ,&nbsp;Mohammad Abdel-Halim ,&nbsp;Marwa Fouad","doi":"10.1016/j.jchromb.2025.124888","DOIUrl":"10.1016/j.jchromb.2025.124888","url":null,"abstract":"<div><div>Compound <strong>BHBC-01</strong>, a promising multi-target inhibitor of Dyrk1A, Dyrk1B, and Clk1, which is based on 5-hydroxybenzo[<em>b</em>]thiophene-2-carboxylic acid benzylamide scaffold, has demonstrated its potential as a novel anticancer agent. To support its further development, this study investigated its pharmacokinetic and stability profiles. An ultra-high performance liquid chromatography-tandem mass spectrometry method was developed and validated for the analysis of compound <strong>BHBC-01</strong>. Chromatographic separation was achieved using an ACQUITY UPLC BEH C18 column with gradient elution, employing a mobile phase consisting of 0.1 % formic acid in water and acetonitrile at a flow rate of 0.4 mL/min. Diphenhydramine was used as the internal standard. Electrospray ionization in positive ion mode allowed multiple reaction monitoring detection using parent ions ([M + H]⁺) at <em>m</em>/<em>z</em> 314.096 and m/z 256.14, and daughter ions at m/z 120.94 and m/z 167.04 for compound <strong>BHBC-01</strong> and diphenhydramine, respectively. The bioanalytical method was validated according to US-FDA guidelines, demonstrating good linearity (50–1000 ng/mL), accuracy, precision, specificity, and stability, with a lower limit of quantification of 50 ng/mL. This method was applied to evaluate the <em>in vitro</em> metabolic stability of compound <strong>BHBC-01</strong> in rat liver S9 fraction, revealing a half-life time of 1.95 h and an intrinsic clearance of 11.94 mL/min/kg, indicating stability against biotransformation. Compound <strong>BHBC-01</strong> also exhibited significant stability in human plasma, with a half-life time of 57.7 h. Furthermore, gastrointestinal stability studies in simulated gastric and intestinal fluids demonstrated half-lives of 13.75 and 14.11 h, respectively, supporting its suitability for oral administration. <em>In vivo</em> pharmacokinetic studies were conducted in Sprague-Dawley rats following intravenous (5 mg/kg) and oral (30 mg/kg) administration. According to the findings, the compound demonstrates adequate pharmacokinetic characteristics through both intravenous and oral routes. The intravenous route demonstrated a C_max of 545.40 ng/mL, an AUC_0-t of 434.01 ng*h/mL, and a half-life time of 0.66 h. Oral administration showed higher C_max (657 ng/mL), and a half-life time of 7.18 h. The oral bioavailability (F) was calculated to be 19.62 %. Collectively, these findings highlight compound <strong>BHBC-01</strong>'s favorable pharmacokinetic and stability profiles, supporting its potential as a drug candidate for further clinical development as a multi-target anticancer agent.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124888"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145703708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Systematic characterization of in vivo exposure and pharmacokinetic features of Tongmaijiangzhi capsule in humans using integrated HRMS and intelligent data processing","authors":"Yuexin Yang ,&nbsp;Chunyan Zhu ,&nbsp;Qiannan Xu ,&nbsp;Bahriman Xarpidin ,&nbsp;Dandan Zhang ,&nbsp;Hairong Zhang ,&nbsp;Xi Luo ,&nbsp;Wenjing Tian ,&nbsp;HaiFeng Chen ,&nbsp;Caisheng Wu","doi":"10.1016/j.jchromb.2025.124907","DOIUrl":"10.1016/j.jchromb.2025.124907","url":null,"abstract":"<div><div>Hyperlipidemia is a major risk factor for cardiovascular diseases and fatty liver. Its incidence has increased in recent years, becoming a major public health concern that poses a serious threat to human health. Tongmaijiangzhi Capsule (TMJZC), a classical pure traditional Chinese medicine (TCM) formulation, has been widely applied in the clinical management of hyperlipidemia with confirmed efficacy and favorable safety. However, its <em>in vivo</em> exposure profile and pharmacokinetic characteristics in humans remain insufficiently characterized, limiting its rational clinical use. In this study, a human exposure-driven analytical strategy was employed, integrating high-resolution mass spectrometry (HRMS), untargeted intelligent data mining, and multi-component quantitative analysis to systematically elucidate the pharmacokinetic behavior and potential bioactive constituents of TMJZC in humans. Using a self-developed untargeted HRMS data-processing platform, a total of 215 TMJZC-related compounds (including 74 prototype constituents and 141 metabolites) were successfully identified in human plasma and urine. Based on human exposure abundance, quality-control components of the herbal medicine, and their circulating forms <em>in vivo</em>, selected seven potential active compounds for further investigation (Cryptochlorogenic acid, Chlorogenic acid, Kaempferol 3-<em>O-β</em>-sophoroside, Hyperoside, Nuciferine, Ginsenoside Rg1, and Notoginsenoside R1). Subsequently, a sensitive and selective multi-component quantification method was subsequently established to systematically characterize their metabolic profiles in humans. Meanwhile, sex-related differences in pharmacokinetics were observed, with the geometric mean ratios (GMRs, female/male) of Nuciferine, Ginsenoside Rg1 and Hyperoside showing substantially higher Cmax (1134.13 %, 447.65 %, 261.53 %,) and AUC_0–∞ (580.47 %, 422.63 %, 290.51 %) in females, respectively. In addition, pharmacological evaluation using hyperlipidemic hepatocyte models (AML12 and HepG2 cells) demonstrated that Hyperoside, Nuciferine, Notoginsenoside R1, and Ginsenoside Rg1 significantly reduced intracellulartriglyceride accumulation. Overall, this study provides the first comprehensive human exposure and pharmacokinetic characterization of TMJZC, highlighting representative circulating constituents and sex-related metabolic differences, and offers a robust analytical basis for quality evaluation, rational clinical application, and further mechanistic studies of this traditional Chinese medicine formulation.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124907"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid and sensitive detection of Candida albicans using nystatin-functionalized magnetic spheres","authors":"Zhen-Yu Zhao ,&nbsp;Ya-Ning Che ,&nbsp;Qian Huang ,&nbsp;Han-Wen Yang ,&nbsp;Xian-Hua Wang ,&nbsp;Lin-Yi Dong","doi":"10.1016/j.jchromb.2025.124896","DOIUrl":"10.1016/j.jchromb.2025.124896","url":null,"abstract":"<div><div><em>Candida albicans</em> is the leading cause of invasive fungal disease; candidemia carries 30–40 % mortality. It commonly colonizes human mucosa as a commensal, but immunosuppression or disrupted microbiota enables opportunistic infection. Therefore, rapid, reliable diagnostics are vital to improve public health.</div><div>In this study, a magnetic solid-phase microextraction (MSPE) technique based on nystatin-functionalized magnetic nanoparticles (Fe₃O₄@NYS) was developed to achieve the dual objectives of efficiently enriching <em>C. albicans</em> rapidly and extracting its deoxyribonucleic acid (DNA). Optimization of capture conditions enabled rapid enrichment of <em>C. albicans</em> with a maximum recovery rate of approximately 90 %. Subsequent to the capture of <em>C. albicans,</em> DNA extraction was performed on the Fe₃O₄@NYS-<em>C. albicans</em> complexes. Notably, Fe₃O₄@NYS facilitated the extraction of a substantial quantity of DNA, with the extraction yield reaching 1200 ng/mg. Therefore, the integration of DNA extraction with quantitative polymerase chain reaction (qPCR) technology enables sensitive and specific detection of <em>C. albicans</em> in real samples. The strategy demonstrated excellent linearity within the concentration range of 4.20 × 10² to 4.20 × 10⁷ CFU mL⁻¹ for <em>C. albicans</em>. The high sensitivity and accuracy of this method were confirmed in honey samples, showcasing a limit of detection (LOD) 420 CFU mL⁻¹, recoveries between 98.1 % and 99.8 %, and relative standard deviations (RSD) not exceeding 2.51 %. This method presents an innovative strategy for point-of-care clinical diagnosis, disease surveillance, and biosafety management, demonstrating substantial potential for the efficient isolation of DNA from complex biological matrices.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124896"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145835848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated chemometric and spectrum-effect analysis discriminates Belamcanda chinensis and Iris tectorum in treating A549 lung cancer cells","authors":"Li-Jun Ruan ,&nbsp;Bing-Xiong Yan ,&nbsp;Yun-Qiu Wu ,&nbsp;Ru-Xin Liu ,&nbsp;Shan-Shan Song ,&nbsp;Cai-Yun Yao ,&nbsp;Feng-Li Huang ,&nbsp;Zhi-Jun Song","doi":"10.1016/j.jchromb.2025.124875","DOIUrl":"10.1016/j.jchromb.2025.124875","url":null,"abstract":"<div><div><em>Belamcanda chinensis</em> (射干, <em>She Gan</em>, SG) and <em>Iris tectorum</em> (川射干, <em>Chuan She Gan</em>, CS), morphologically similar Iridaceae species with overlapping phytochemistry and respiratory applications, are frequently misused in traditional and modern practice. This study established a comprehensive differentiation strategy for SG and CS by integrating chemical characterization with pharmacological evaluation to identify bioactive markers. Twenty-nine herbal samples (11 CS, 18 SG) were analyzed for extraction yields, HPLC fingerprints, isoflavone quantification, multivariate chemometric analysis, in vitro cytotoxicity assessment, and spectrum-effect correlations. CS exhibited significantly higher extraction yields (44.8 % vs. 23.4 %) and total isoflavonoid content (168.7 vs. 42.6 mg/g) than SG, which correlated with stronger cytotoxicity against A549 cells. Chemometric analysis (PCA, PLS-DA and HCA) distinguished species-specific markers: tectoridin/ iristectorin A &amp; B/ iristectorigenin B dominated CS, while irigenin characterized SG. In cytotoxicity assays using A549 cells at concentrations of 50–400 μg/mL, CS extracts showed significantly stronger dose-dependent cytotoxicity (93.6 % to 32.1 % viability reduction) compared to SG extracts (102.8 % to 68.3 %). PLSR-based spectrum-effect relationship analysis at 100/200 μg/mL linked eleven chromatographic peaks to bioactivity, with tectoridin, iristectorin A, and iristectorigenin B demonstrating strong correlations. Experimental validation confirmed these monomers as key cytotoxic agents. In summary, our integrated chemometric and spectrum-effect analysis showed stronger cytotoxicity of CS versus SG in A549 cells, with tectoridin, iristectorin A, and iristectorigenin B identified as potential quality markers. This study establishes a reliable chemometric-bioassay approach for bioactive marker discovery and herb-herb differentiation in traditional medicine. Further validation in diverse models and mechanistic studies is needed.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124875"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145684097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Simultaneous chiral analysis of DL-asp and DL-α-HB with derivatization in human fingernail by UHPLC-MS/MS: an application in colorectal cancer","authors":"Yinshuo Xu ,&nbsp;Yuanjie Shan ,&nbsp;Yuta Nishio ,&nbsp;Kenichiro Todoroki ,&nbsp;Toshimasa Toyo'oka ,&nbsp;Toufeng Jin ,&nbsp;Jun Zhe Min","doi":"10.1016/j.jchromb.2025.124895","DOIUrl":"10.1016/j.jchromb.2025.124895","url":null,"abstract":"<div><div>With the development of untargeted metabolomics, studies have shown that alterations in the serum levels of specific amino acids are strongly correlated with the development of early-stage colorectal cancer (CRC). However, the relationship between optically active free amino acids in human nails and the risk of CRC remains unclear. In this study, a highly sensitive UHPLC-MS/MS chiral separation method based on (<em>S</em>)-(−)-DBD-Pro-COCl derivatization was established for the simultaneous detection of DL-Asp, DL-Kyn, DL-α-hydroxybutyric acid (DL-α-HB), and Cystamine in the fingernails of patients with CRC. The derivatization reagents were incubated with DL-amino acids, DL-α-HB and Cyst at 60 °C for 15 min to form diastereomers. Subsequently, an Imtakt cadenza CD-C₁₈ column (3.0 × 150 mm, 3.0 μm) was used for the separation of diastereomers under gradient elution of 10 mM HCOONH₄ in H₂O as mobile phase A and 0.1 % HCOOH in CH₃CN as mobile phase B. The degrees of separation (Rs) ranged from 1.76 to 3.21. R² was &gt;0.9995, indicating good linearity; the limit of detection (LOD) was 25–100 fmol; the interday and intraday precision of DL-Asp and DL-α-HB detection were 0.85 %–4.91 %; and the average recovery ranged from 81.12 % to 110.2 %. However, during the determination process of fingernail samples, only DL-Asp and DL-α-HB were successfully detected, while DL-Kyn and Cyst were not detected. Therefore, this novel method was used to quantify DL-Asp and DL-α-HB in fingernail samples from 32 healthy volunteers (HVs) and 16 patients with CRC (CPs). The results revealed significant differences in D-Asp (<em>p</em> &lt; 0.05), L-Asp (<em>p</em> &lt; 0.01), and L-α-HB (<em>p</em> &lt; 0.05) levels between male HVs and CPs and in D-α-HB (<em>p</em> &lt; 0.05) levels between female HVs and CPs. In addition, the D/L-α-HB ratio (<em>p</em> &lt; 0.01) was significantly different between male HVs and CPs. These findings validate the use of DL-amino acids, DL-α-HB and Cyst from human fingernails as potential diagnostic biomarkers for CRC, providing a basis for the clinical application of human fingernail samples for the noninvasive diagnosis of CRC.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124895"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145822581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of the benefits of adding differential mobility spectrometry to LC-MS/MS workflows for challenging steroid measurements","authors":"Kayla Moehnke,&nbsp;Pragya Sharma,&nbsp;Jennifer Kemp,&nbsp;Anthony Maus","doi":"10.1016/j.jchromb.2025.124893","DOIUrl":"10.1016/j.jchromb.2025.124893","url":null,"abstract":"<div><div>Accurate quantification of steroid hormones such as estrogens (estradiol, estrone) and glucocorticoids (cortisol, cortisone) is essential for diagnosing and monitoring endocrine disorders. However, their structural similarity and low physiological concentrations pose analytical challenges in clinical laboratories. This study evaluates the utility of differential mobility spectrometry (DMS) coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) for improving the specificity and sensitivity of steroid measurements in serum (estrogens) and scalp hair (glucocorticoids) using a SelexION-equipped Sciex 6500+ mass spectrometer coupled to a high throughput Thermo Scientific TLX-2 LC system. DMS significantly reduced chromatographic interferences and enhanced signal-to-noise (S/N) ratios—up to 420 % for estradiol and 210 % for estrone. For cortisol and cortisone in hair, DMS also reduced interferences and increased S/N, as well as improving fragment ion agreement as evidenced by the reduction in fragment ion calculated concentration discrepancies exceeding ±20 % from 18 to 8 samples for cortisol and from 23 to 2 samples for cortisone. These findings support DMS as a complementary technique to LC-MS/MS, offering orthogonal separation and improved analytical performance for steroid hormone quantification in complex biological matrices.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124893"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145777067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical composition and bioactivity of Sideritis taurica Stephan ex Wild. (Lamiaceae) leaves: GC/MS analysis, antioxidant and enzyme inhibition activities, and in silico studies","authors":"Avni Yıldızbaş ,&nbsp;Parham Taslimi ,&nbsp;Burak Tüzün ,&nbsp;Nastaran Sadeghian ,&nbsp;Rıfat Kurt ,&nbsp;Abdullah İstek","doi":"10.1016/j.jchromb.2025.124894","DOIUrl":"10.1016/j.jchromb.2025.124894","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Since ancient times, &lt;em&gt;Sideritis taurica&lt;/em&gt; and other &lt;em&gt;Sideritis&lt;/em&gt; species have been used in traditional medicine in Türkiye and beyond for treating a variety of ailments, including coughs, sore throats, gastrointestinal, respiratory, and urogenital disorders, as well as wounds, colds, and flu, and are believed to possess numerous therapeutic properties such as antispasmodic, analgesic, antibacterial, anti-inflammatory, and antioxidant effects. This study aimed to evaluate the enzyme inhibition and antioxidant activities of various extracts from &lt;em&gt;S. taurica&lt;/em&gt; leaves collected from Kurucaşile, Bartın, Türkiye. The extracts were prepared using ethanol, methanol, and hot/cold water extraction methods from leaves that were dried at room temperature and stored in a freezer. Enzyme inhibition activities were assessed against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-glucosidase, and α-amylase, with IC&lt;sub&gt;50&lt;/sub&gt; values calculated. Antioxidant activities were measured using DPPH, ABTS, and CUPRAC assays. Furthermore, ADME/T (Absorption, Distribution, Metabolism, Excretion, and Toxicity) and molecular docking calculations were performed on the phytochemical components of &lt;em&gt;S. taurica&lt;/em&gt; to investigate their effects and interactions with human metabolism. These calculations were performed on a number of proteins, including alpha-amylase protein (PDB ID: &lt;span&gt;&lt;span&gt;1HNY&lt;/span&gt;&lt;svg&gt;&lt;path&gt;&lt;/path&gt;&lt;/svg&gt;&lt;/span&gt;), AChE protein (PDB ID: &lt;span&gt;&lt;span&gt;4M0E&lt;/span&gt;&lt;svg&gt;&lt;path&gt;&lt;/path&gt;&lt;/svg&gt;&lt;/span&gt;), and BChE protein (PDB ID: &lt;span&gt;&lt;span&gt;5NN0&lt;/span&gt;&lt;svg&gt;&lt;path&gt;&lt;/path&gt;&lt;/svg&gt;&lt;/span&gt;). The purpose of these calculations was to investigate the interaction between these substances and human metabolism. The results indicated that the ethanol and methanol extracts exhibited the highest inhibition on AChE and BChE (IC&lt;sub&gt;50&lt;/sub&gt; values of 73.99 μg/mL and 5.04 μg/mL, respectively). The methanol extracts also demonstrated potent inhibition against α-glucosidase (IC&lt;sub&gt;50&lt;/sub&gt; value of 25.81 μg/mL) and α-amylase (IC&lt;sub&gt;50&lt;/sub&gt; value of 70.42 μg/mL). Regarding antioxidant activity, the methanol extracts showed the highest radical scavenging activity in the DPPH (87.88 %) and ABTS (99.97 %) tests. Additionally, the methanol extracts stored in the freezer exhibited the best-reducing power in the CUPRAC assay (2.436 ± 0.1669). These findings underscore the potential of &lt;em&gt;S. taurica&lt;/em&gt; as a source of natural antioxidants and enzyme inhibitors, suggesting its applicability in the treatment of neurodegenerative diseases such as Alzheimer's disease. In conclusion, extracts obtained from &lt;em&gt;S. taurica&lt;/em&gt; leaves, particularly those derived from room temperature-dried leaves, demonstrate significant enzyme inhibition and antioxidant properties. Also, the findings support the consideration of &lt;em&gt;S. taurica&lt;/em&gt; as a natural therapeutic source for neurodegenerative diseases and emphasize for further investigation into its active c","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124894"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145777090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Online sequential stacking enrichment to verify the relationship between branched chain amino acids in saliva and body mass index by capillary electrophoresis","authors":"Jianzhu Han ,&nbsp;Na Guo ,&nbsp;Sijia Zhou,&nbsp;Yijia Chen,&nbsp;Wenqiang Yang,&nbsp;Zhaoyan Wang","doi":"10.1016/j.jchromb.2025.124897","DOIUrl":"10.1016/j.jchromb.2025.124897","url":null,"abstract":"<div><div>The incidence of obesity has increased in recent years, and studies have shown that obese individuals often exhibit elevated branched chain amino acids (BCAAs) in blood. However, the relationship between the salivary BCAA content and obesity remains to be clarified. In this work, BCAAs in saliva were directly determined by capillary electrophoresis with ultraviolet detection (CE-UV) within 15 min, and a sequential stacking enhance combining sweeping and acid barrage stacking (ABS) was employed to enhance sensitivity. Under the optimized conditions, enrichment factors of 49.3, 58.2 and 56.4 were achieved for valine (Val), leucine (Leu), and isoleucine (Ile), respectively. The limits of detection (LODs) for Val, Leu and Ile were 0.28, 0.25 and 0.26 μg/mL, and the limits of quantification (LOQs) were 0.94, 0.83 and 0.88 μg/mL, respectively. Based on salivary BCAA measurements from 16 volunteers, a preliminary positive correlation between salivary BCAA levels and body mass index (BMI) was observed.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124897"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Overcoming the challenge of Protein A resin sanitisation: Evaluating the efficacy of peracetic acid as a novel sanitisation solution for MabSelect SuRe LX resin impacted by spore-forming bacteria","authors":"Aoife Corr,&nbsp;Aoife Kearney,&nbsp;Aida Aliefendic,&nbsp;Beth Kirschenheiter,&nbsp;Donal Monaghan,&nbsp;Adam Curtin,&nbsp;Pamela O'Brien","doi":"10.1016/j.jchromb.2025.124889","DOIUrl":"10.1016/j.jchromb.2025.124889","url":null,"abstract":"<div><div>Effective sanitisation of Protein A chromatography resin is critical for commercial monoclonal antibody (mAb) production, enabling microbial control and resin reuse. An effective strategy encompasses; resin compatibility with sanitising agents, microbial inactivation, and the removal of residual impurities from the resin. Sodium hydroxide (NaOH) is typically used for resin sanitisation. However, certain spore-forming microorganisms demonstrate resistance to NaOH, even at high concentrations. Alternative sanitising approaches are required to address potential spore-forming bioburden ingress. This paper introduces peracetic acid (PAA) as an alternative to NaOH for remediating MabSelect SuRe LX (MSLX) Protein A resin impacted by spore forming bacteria such as <em>Paenibacillus glucanolyticus</em>, <em>Bacillus subtilis</em>, and <em>Paenibacillus polymyxa.</em> PAA at a 20 mM concentration demonstrated superior microbial control to 0.5 M NaOH. A single 60 min exposure to 20 mM PAA was carried out, followed by continuous cycling until 100 h of NaOH exposure was achieved. Protein A chromatography cycles were conducted at laboratory scale using two distinct mAbs under two loading conditions. A reduction in step yield was observed at the maximum loading condition, suggesting that PAA exposure contributes to a reduction in resin binding capacity. Sufficient binding capacity was maintained when loading at manufacturing-scale relevant ranges for both mAb A &amp; mAb B. Impurity clearance was not impacted following PAA exposure. A manufacturing-scale verification assessment confirmed that a single exposure to 20 mM PAA for 60 min is a suitable remedial treatment for MSLX resin in response to NaOH-resistant bioburden ingress.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1270 ","pages":"Article 124889"},"PeriodicalIF":2.8,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}