Journal of pharmaceutical and biomedical analysis最新文献_第3页

Aggregation-induced luminescence probe based lateral flow immunoassay for the simultaneous quantitative detection of IL-6/PCT 基于聚集诱导发光探针的侧流免疫法同时定量检测IL-6/PCT。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-05 DOI: 10.1016/j.jpba.2026.117393

Rong He , Yanjie Zhu , Weiping Zhou , Muhammad Azhar Hayat Nawaz , Yunhui Li , Jianwei Zhu , Huimin Feng , Anna Maria Nowicka , Wenzhao Han , Cong Yu

The detection of important inflammatory biomarkers possesses substantial advantages in guiding clinical decision-making. In particular, simultaneous detection of interleukin-6 (IL-6) and procalcitonin (PCT) significantly improves the differentiation between bacterial and viral infections, a critical challenge in early-stage diagnostics. To address this need, a reliable lateral flow immunoassay (LFIA) incorporating aggregation-induced luminescent nanoparticles (BTA@PS) was successfully developed. A novel aggregation-induced emission (AIE) probe was designed and encapsulated within polystyrene microspheres, thereby overcoming the limitations of aggregation-caused quenching (ACQ) in conventional fluorescent materials. The resulting BTA@PS nanoparticles, conjugated with specific antibodies against IL-6 and PCT, served as stable and effective immunofluorescent probes for the LFIA platform. Under optimized experimental conditions, the developed BTA@PS-LFIA enabled simultaneous quantification of IL-6 and PCT, demonstrating excellent linearity over the range of 2–8000 pg/mL and 0.04–30 ng/mL, respectively, with coefficient of variation (CV) values of below 5 %. Furthermore, this method demonstrated superior detection capability for PCT and IL-6 in serum, confirming its high potential for rapid clinical diagnostics.

重要炎症生物标志物的检测在指导临床决策方面具有实质性的优势。特别是，同时检测白细胞介素-6 （IL-6）和降钙素原（PCT）可显著提高细菌和病毒感染的区分，这是早期诊断的一个关键挑战。为了满足这一需求，成功开发了一种可靠的横向流动免疫测定（LFIA），其中包含聚集诱导的发光纳米颗粒（BTA@PS）。设计了一种聚苯乙烯微球封装的新型聚集致猝灭（AIE）探针，克服了传统荧光材料中聚集致猝灭（ACQ）的局限性。所得BTA@PS纳米颗粒结合了针对IL-6和PCT的特异性抗体，作为LFIA平台稳定有效的免疫荧光探针。在优化的实验条件下，建立的BTA@PS-LFIA可以同时定量IL-6和PCT，分别在2-8000 pg/mL和0.04-30 ng/mL范围内具有良好的线性关系，变异系数（CV）值小于5 %。此外，该方法对血清中PCT和IL-6的检测能力优越，证实了其在快速临床诊断中的巨大潜力。

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引用次数: 0

Determination of Gentamicin C-subtypes in Inner Ear Perilymph Using Liquid Chromatography with Fluorescence Detection 液相色谱-荧光检测法测定内耳淋巴周围庆大霉素c亚型。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-05 DOI: 10.1016/j.jpba.2026.117394

Shreshtha Dash, Molly T. McDevitt, D. David Smith, Peter S. Steyger

Gentamicin is a broad-spectrum aminoglycoside used frequently to treat gram-positive and gram-negative bacterial infections. In this study, a new, simple, fast, and sensitive isocratic reversed-phase high performance liquid chromatography (RP-HPLC) method was developed and validated for the detection and quantification of fluorescent OPA-ethanethiol derivatized gentamicin in very small biological sample volumes. To our knowledge, there is no report of the use of ethanethiol for the derivatization of gentamicin with OPA, and the simultaneous determination of the four major C-subtypes of gentamicin using OPA-derivatives. Optimum chromatographic conditions were achieved on a C₁₈ column with a mobile phase consisting of methanol, glacial acetic acid, and an aqueous solution of sodium 1-heptanesulfonate at a flow rate of 1.0 mL/min under ambient conditions. The method was successfully validated according to the acceptance criteria of USP guidelines in terms of selectivity, linearity, accuracy, precision, and sensitivity. The linearity of the method was demonstrated with a concentration range of gentamicin (10-400 ng/mL) prepared in artificial perilymph. The limit of detection was 0.2 ng/mL and the limit of quantification was 10–11 ng/mL for all four major C-subtypes of gentamicin. Finally, due to its high sensitivity, this method was successfully applied to quantify gentamicin concentrations in the small volumes of perilymph present in the inner ear of mice. Thus, this RP-HPLC-fluorescence method for detecting derivatized gentamicin in preclinical models is promising in terms of simplicity and high sensitivity.

庆大霉素是一种广谱氨基糖苷，常用于治疗革兰氏阳性和革兰氏阴性细菌感染。本研究建立了一种新的、简单、快速、灵敏的等容反相高效液相色谱（RP-HPLC）方法，用于极小生物样品体积下opa -乙硫醇衍生庆大霉素的荧光检测和定量。据我们所知，目前还没有使用乙硫醇与OPA衍生庆大霉素的报道，也没有使用OPA衍生物同时测定庆大霉素的四个主要c亚型的报道。在C18色谱柱上，以甲醇、冰醋酸和1-庚烷磺酸钠水溶液为流动相，流速为1.0 mL/min，获得了最佳色谱条件。方法在选择性、线性度、准确度、精密度、灵敏度等方面均符合美国药典的验收标准。在人工淋巴周围制备的庆大霉素（10 ~ 400 ng/mL）浓度范围内，本法线性良好。4种主要c亚型庆大霉素的检测限为0.2 ng/mL，定量限为10-11 ng/mL。最后，由于该方法灵敏度高，成功地应用于小鼠内耳淋巴周围小体积庆大霉素浓度的定量。因此，这种rp - hplc -荧光法在临床前模型中检测衍生庆大霉素具有简便和高灵敏度的优点。

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引用次数: 0

3-mercaptopropionic acid agent-based biosensor system using gold-screen printed electrode for aflatoxin B1 detection 基于3-巯基丙酸试剂的金丝网印刷电极生物传感器系统用于黄曲霉毒素B1检测

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-10 DOI: 10.1016/j.jpba.2026.117411

Burçak Demi̇rbakan , Ahmet Çeti̇nkaya , Evrim Güneş Altuntaş , Mehmet Altay Ünal , Mustafa Kemal Sezgi̇ntürk , Sibel A. Özkan

A novel electrochemical biosensor was constructed for the ultrasensitive detection of aflatoxin B1 (AFB1) in food samples. The biosensor design was based on a 3-mercaptopropionic acid (3-MPA)-modified self-assembled monolayer (SAM) constructed on disposable gold screen-printed electrodes (SPE-Au). Covalent attachment of anti-AFB1 antibodies was achieved on the functionalized electrode surface, and the modification process at each stage was analyzed using CV and EIS techniques. 3-MPA concentration was optimized to enhance analytical performance. The biosensor exhibited a wide linear detection range of 0.1–250 pg/mL with a calculated limit of detection (LOD) of 0.94 pg/mL and limit of quantification (LOQ) of 3.14 pg/mL. It also demonstrated high reproducibility and excellent selectivity toward AFB1. Finally, the biosensor was successfully applied to real food samples, including milk, rice, peanuts, and chili pepper, confirming its reliability and potential for practical food safety monitoring.

建立了一种新型电化学生物传感器，用于食品中黄曲霉毒素B1 （AFB1）的超灵敏检测。该生物传感器设计基于3-巯基丙酸（3-MPA）修饰的自组装单层（SAM）构建在一次性金丝网印刷电极（SPE-Au）上。在功能化电极表面实现了抗afb1抗体的共价附着，并利用CV和EIS技术对各阶段的修饰过程进行了分析。优化了3-MPA浓度，提高了分析性能。该传感器线性检测范围0.1 ~ 250 pg/mL，计算检出限（LOD）为0.94 pg/mL，定量限（LOQ）为3.14 pg/mL。该方法对AFB1具有较高的重复性和选择性。最后，该生物传感器成功应用于牛奶、大米、花生和辣椒等实际食品样品，证实了其可靠性和实际食品安全监测的潜力。

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引用次数: 0

Metabolomics technology combined with O2PLS analysis reveals the active components of Paeoniae Radix Alba in preventing renal damage in rheumatoid arthritis 代谢组学技术结合O2PLS分析揭示了白芍预防类风湿关节炎肾损害的有效成分

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-10 DOI: 10.1016/j.jpba.2026.117403

Shuyi Lv , Jiayi Lin , Yu Sun , Mingqin Kang , Xin Li , Lili Song , Yubo Li

Rheumatoid arthritis (RA) is a chronic autoimmune disorder characterized by symmetrical, erosive polyarthritis and multi-organ involvement, with renal complications posing a life-threatening risk. Paeoniae Radix Alba, known as BaiShao (BS) in Chinese, is a widely used herbal medicine for clinical RA treatment, yet its potential in preventing RA-associated renal damage and its underlying active ingredients remain elusive. To address this knowledge gap, we employed a type II collagen-induced arthritis (CIA) rat model. Biochemical assays and histopathological analyses confirmed that BS exerted robust renoprotective effects in CIA rats. Serum and urine metabolomics identified 48 renal damage-related biomarkers, 18 of which showed distinct regulatory trends following BS intervention. Meanwhile, ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF/MS) was used to characterize 34 chemical components in BS. Through an integrative approach that combines two-way orthogonal partial least squares (O2PLS) and Pearson correlation analysis, 18 active ingredients were identified as key mediators of BS-mediated renoprotection. Collectively, this study establishes a novel metabolomics-O2PLS strategy for discovering active ingredients in BS, laying a foundation for understanding the mechanism underlying the prevention of RA-associated renal damage mediated by BS and providing insights for the development of novel preventive therapeutics.

类风湿性关节炎（RA）是一种慢性自身免疫性疾病，其特征是对称、糜糜性多关节炎和多器官受累，肾脏并发症具有危及生命的危险。白芍（Paeoniae Radix Alba）是临床广泛使用的治疗类风湿性关节炎（RA）的中草药，但其预防RA相关性肾损害的潜力及其潜在活性成分尚不清楚。为了解决这一知识差距，我们采用了II型胶原诱导关节炎（CIA）大鼠模型。生化试验和组织病理学分析证实，BS对CIA大鼠具有强大的肾保护作用。血清和尿液代谢组学鉴定出48种与肾损伤相关的生物标志物，其中18种在BS干预后显示出明显的调节趋势。同时，采用超高效液相色谱-四极杆飞行时间串联质谱法（UPLC-Q-TOF/MS）对BS中的34种化学成分进行了表征。通过结合双向正交偏最小二乘（O2PLS）和Pearson相关分析的综合方法，鉴定出18种活性成分是bs介导的肾保护的关键介质。总的来说，本研究建立了一种新的代谢组学- o2pls策略，用于发现BS中的活性成分，为了解BS介导的ra相关肾损害的预防机制奠定了基础，并为开发新的预防治疗方法提供了见解。

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引用次数: 0

Development and validation of an UPLC–MS/MS method for simultaneous determination of meropenem and its open-ring metabolite in human serum and cerebrospinal fluid with application to clinical samples 同时测定人血清和脑脊液中美罗培南及其开环代谢物的UPLC-MS/MS方法的建立及应用于临床样品的验证

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-02 DOI: 10.1016/j.jpba.2026.117389

XiangLong Chen , Jinhui Xu , Chengliang Wang, Lijuan Yang, Jinwei Fan, Tongtong Li, Qian Zhang, Yanxia Yu, Lian Tang, Shenjia Huang

Central nervous system (CNS) infections require adequate drug exposure at the site of action, yet antibiotic meropenem (MER) shows limited cerebrospinal fluid (CSF) penetration and easily undergoes non-enzymatic degradation to an inactive open-ring metabolite (ORM). In this study, we developed a simple, sensitive, and fast liquid chromatography tandem mass spectrometry (LC-MS/MS) method for the simultaneous determination of MER and ORM in human serum and CSF. Chromatographic separation was accomplished on an Agela Venusil MP C18 column, with MER-d6 and ORM-d6 as internal standards. Methanol was found to promote methanolysis, yielding a characteristic product (m/z 416.2). Therefore, acetonitrile was selected as both the organic phase and the protein-precipitation solvent. Method validation was conducted according to the ICH M10 guideline. Follow validation, the method was successfully applied to 57 serum and 16 CSF samples. ORM concentrations in human CSF were reported for the first time. This method provides a valuable tool to support MER monitoring in patients with CNS infections.

中枢神经系统（CNS）感染需要在作用部位充分暴露于药物，但抗生素美罗苯南（MER）显示脑脊液（CSF）渗透有限，并且容易经历非酶降解为无活性开环代谢物（ORM）。本研究建立了一种简便、灵敏、快速的液相色谱串联质谱（LC-MS/MS）同时测定人血清和脑脊液中MER和ORM的方法。色谱分离采用Agela Venusil MP C18色谱柱，MER-d6和ORM-d6为内标。发现甲醇促进甲醇分解，产生特征产物（m/z 416.2）。因此，选择乙腈作为有机相和蛋白质沉淀溶剂。方法验证按照ICH M10指南进行。经过验证，该方法成功应用于57份血清和16份脑脊液样本。ORM在人脑脊液中的浓度为首次报道。该方法为支持中枢神经系统感染患者的MER监测提供了有价值的工具。

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引用次数: 0

Corrigendum to ‘A liquid biopsy-RNAseq method for monitoring the expression of genes involved in drug disposition: proof-of-concept application to cholestatic liver disease’ [J. Pharm. Biomed. Anal. (2025) 269: 117244] “液体活检- rnaseq方法监测药物处置相关基因表达：概念验证应用于胆汁淤积性肝病”的更正[J]。制药。生物医学。分析的。（2025） 269: 117244]

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-02 DOI: 10.1016/j.jpba.2026.117385

Amit Dahal , Teresa Sierra , Colleen M. Hayes , David N. Assis , Amin Rostami-Hodjegan , Nisanne S. Ghonem , Brahim Achour

引用次数: 0

Construction of bio-layer interferometry biosensors via cell-free synthesized proteins for fishing bioactive compounds from Chinese herbs 基于无细胞合成蛋白的生物层干涉测量传感器的构建

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-06-15 Epub Date: 2026-02-07 DOI: 10.1016/j.jpba.2026.117405

Yanting Wang , Xiaofei Wang , Ningqi Xia , Hao Chen , Linfeng Zhang , Bin Lu , Diya Lv , Yan Cao

The application of Bio-Layer Interferometry (BLI) is contingent upon the immobilization of highly purified target proteins onto the sensor. The cumbersome and time-consuming nature of traditional protein expression and purification processes restricts the application of BLI in high-throughput screening of traditional Chinese medicine (TCM). This study aims to develop a rapid and efficient BLI-based platform for screening bioactive components in TCM. An integrated platform combining cell-free protein synthesis (CFPS), BLI, and ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-QTOF/MS) was established for efficient TCM bioactive compound discovery. Functional C-X-C chemokine receptor 4 (CXCR4) was synthesized in vitro using a CFPS system, which were then validated by surface plasmon resonance (SPR) and western blotting. Immobilized CXCR4 on NTA biosensors enabled BLI-based high-throughput screening of TCM extracts, followed by target-specific compound recovery and characterized via mass spectrometry. Three bioactive TCM constituents were successfully fished and identified as coptisine, ligustilide, and senkyunolide A. All of them exhibited negligible cytotoxicity at concentrations ranging from 6.25 to 100 μM). Furthermore, ligustilide and senkyunolide A demonstrated certain affinity for CXCR4 with K_D of 69.86 μM and 14.7 μM, respectively, and significantly inhibited cell migration. This study is the first identification of ligustilide and senkyunolide A as functional ligands of CXCR4. The established CFPS-BLI-UHPLC-QTOF/MS platform enables efficient discovery of low-toxicity, high-affinity CXCR4-targeting therapeutics from TCM.

生物层干涉法（BLI）的应用取决于高度纯化的目标蛋白在传感器上的固定化。传统的蛋白质表达和纯化过程繁琐、耗时，限制了BLI在中药高通量筛选中的应用。本研究旨在建立一种快速、高效的基于bbi的中药生物活性成分筛选平台。建立了游离蛋白合成（CFPS）、BLI和超高效液相色谱-四极杆飞行时间质谱（UHPLC-QTOF/MS）相结合的中药生物活性化合物高效发现平台。利用CFPS系统体外合成功能性C-X-C趋化因子受体4 (CXCR4)，并通过表面等离子体共振（SPR）和western blotting对其进行验证。将CXCR4固定在NTA生物传感器上，实现了基于bli的中药提取物高通量筛选，随后进行了靶向性化合物回收，并通过质谱分析进行了表征。在6.25 ~ 100 μM的浓度范围内，三种具有生物活性的中药成分被成功地捕获并鉴定为黄连碱、藁本内酯和仙丘内酯a。此外，藁本内酯和仙球内酯A对CXCR4表现出一定的亲和力，KD分别为69.86 μM和14.7 μM，并显著抑制细胞迁移。本研究首次鉴定出藁本内酯和仙子内酯A是CXCR4的功能配体。建立的CFPS-BLI-UHPLC-QTOF/MS平台能够高效发现低毒性、高亲和力的中药cxcr4靶向治疗药物。

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引用次数: 0

LC-MS peptide mapping of monoclonal antibodies using the mirror proteases trypsin and Tryp-N 使用镜像蛋白酶胰蛋白酶和胰蛋白酶n的单克隆抗体的LC-MS肽定位

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-05-15 Epub Date: 2026-01-20 DOI: 10.1016/j.jpba.2026.117361

Domantas Sargautis, Bernd Thiede

Accurate characterization of the amino acid sequence and post translational modifications (PTMs) of monoclonal antibodies (mAbs) is essential for evaluating product quality. Peptide mapping through bottom-up LC/MS analysis is a key methodology for this purpose. While trypsin is commonly the first choice for mAb digestion, it typically yields high but incomplete sequence coverage. As a result, supplementary endoproteases such as Asp-N, chymotrypsin, Glu-C or Lys-C are often employed to enhance coverage. In this report, we evaluated another endoprotease, Tryp-N, which serves as an effective alternative to trypsin for mAb analysis. The sequence coverages achieved for bevacizumab, cetuximab, NISTmAb, and trastuzumab with Tryp-N were comparable to that of trypsin, and the combination of both enzymes slightly improved overall sequence coverage. Notably, both trypsin and Tryp-N generated identical peptides beside the N- and C-terminal ends. The presence of a basic amino acid at opposite ends of the peptide often resulted in complementary sequence coverage of the MS2 of the same peptide sequences. These complementary ion series can be leveraged for precise localization of PTMs, as demonstrated in detail for deamidation, and oxidation sites as well as single amino acid variants (SAVs).

准确鉴定单克隆抗体（mab）的氨基酸序列和翻译后修饰（PTMs）是评价单克隆抗体（mab）产品质量的关键。通过自下而上LC/MS分析的肽图谱是实现这一目的的关键方法。虽然胰蛋白酶通常是单抗消化的首选，但它通常产生高但不完整的序列覆盖率。因此，补充的内源性蛋白酶如Asp-N、凝乳胰蛋白酶、Glu-C或Lys-C通常被用来增强覆盖。在本报告中，我们评估了另一种内源性蛋白酶，胰蛋白酶- n，它可以作为胰蛋白酶的有效替代品进行单抗分析。贝伐单抗、西妥昔单抗、NISTmAb和曲妥珠单抗与胰蛋白酶的序列覆盖率相当，两种酶的组合略微提高了总体序列覆盖率。值得注意的是，胰蛋白酶和胰蛋白酶-N在N端和c端产生相同的肽。在肽的相反端存在碱性氨基酸通常会导致相同肽序列的MS2的互补序列覆盖。这些互补离子系列可以用于精确定位PTMs，如脱酰胺、氧化位点以及单氨基酸变体（sav）的详细演示。

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引用次数: 0

Analysis of gut microbiota and intestinal secondary bile acids metabolism in rats after short-term antibiotic treatment 短期抗生素治疗后大鼠肠道菌群及肠道次级胆汁酸代谢分析

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-05-15 Epub Date: 2026-01-19 DOI: 10.1016/j.jpba.2026.117365

Zhuan Yang , Xiaoping Zhang , Bo Lv , Yunli Yu

Antibiotics have a profound impact on the overall taxonomic composition of gut microbiota. As gut microbiota influence host bile acids metabolism, changes in the composition of gut microbiota induced by antibiotics are certain to alter host bile acids profile. However, the differences in the effects of various antibiotics on bile acids metabolism and their associations with the impact on intestinal microbiota remain unelucidated. Here, investigation was conducted into how different antibiotics impact host intestinal bile acids metabolism via gut microbiota using in vivo study and multi-omics approaches. Four antibiotics (cefixime, clarithromycin, moxifloxacin and metronidazole) were used to treat normal rats for a short period (3 days), and then gut microbiota, intestinal bile acids profile, BSH and 7α-dehydroxylases activity mediated bile acid metabolism were measured. The results showed that bile acid metabolism in intestine was significantly altered along with the abundance change in bile acid-producing microbiota. It was found that moxifloxacin and metronidazole inhibited the transformation of primary BAs to secondary BAs in the intestine as compared to cefixime and clarithromycin, which was exposed to be associated with its regulation of Ruminococcaceae by Spearman’s correlation analysis (correlation with CDCA/LCA is r = -0.89, FDR<0.001 and CA/DCA is r = -0.708, FDR<0.01). The abundance of Ruminococcaceae in the gut decreased by 87 % after moxifloxacin intervention, while metronidazole completely suppressed the abundance of intestinal Ruminococcaceae. Further analysis revealed that Ruminococcaceae were most strongly associated with the activity of 7α-dehydroxylases (r = 0.701, FDR<0.001). Specifically, we found that Ruminococcus flavefaciens had the closest association with alterations in secondary bile acids (r < -0.68, FDR<0.01). Collectively, our research demonstrated that different antibiotics exerted varying impacts on the production of intestinal secondary bile acids, which was related to their differential effects on the gut microbiota. This work provides novel insights into the interplay between antibiotics and microbial metabolites.

抗生素对肠道微生物群的整体分类组成有深远的影响。由于肠道菌群影响宿主胆汁酸代谢，抗生素引起的肠道菌群组成的变化必然会改变宿主胆汁酸谱。然而，各种抗生素对胆汁酸代谢的影响差异及其与肠道微生物群影响的关联尚不清楚。本研究采用体内研究和多组学方法研究了不同抗生素如何通过肠道微生物群影响宿主肠道胆汁酸代谢。采用头孢克肟、克拉霉素、莫西沙星、甲硝唑4种抗生素短时间（3 d）治疗正常大鼠，测定其肠道菌群、肠道胆汁酸谱、BSH和7α-去羟化酶活性介导的胆汁酸代谢。结果表明，肠道内胆汁酸代谢随着产胆汁酸微生物群丰度的变化而显著改变。与头孢克肟和克拉霉素相比，莫西沙星和甲硝唑抑制了肠道内初级BAs向次级BAs的转化，并通过Spearman相关分析发现其对瘤胃球菌科的调节作用与其相关（与CDCA/LCA的相关性为r = -0.89,FDR<0.001， CA/DCA的相关性为r = -0.708,FDR<0.01）。莫西沙星干预后，肠道Ruminococcaceae丰度下降了87 %，而甲硝唑完全抑制了肠道Ruminococcaceae的丰度。进一步分析发现，Ruminococcaceae与7α-去羟化酶活性相关性最强（r = 0.701,FDR<0.001）。具体来说，我们发现黄瘤球菌与次级胆汁酸的改变密切相关（r <； -0.68,FDR<0.01）。总的来说，我们的研究表明，不同的抗生素对肠道次级胆汁酸的产生有不同的影响，这与它们对肠道微生物群的不同影响有关。这项工作为抗生素和微生物代谢物之间的相互作用提供了新的见解。

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引用次数: 0

Identification of leprosy reactions using Fourier transform infrared (FTIR) spectroscopy supervised by clinical evaluation 用傅立叶变换红外光谱识别麻风病反应，并进行临床评价

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2026-05-15 Epub Date: 2026-01-12 DOI: 10.1016/j.jpba.2026.117354

Paulo Cezar de Moraes , Alessandra Koehler , Letícia Maria Eidt , Cristiane Almeida Soares Cattani , Valeriano Antonio Corbellini , Maria Lúcia Scroferneker

Leprosy is a chronic granulomatous, infectious and disabling disease, whose etiological agents are Mycobacterium leprae and M. lepromatosis. Leprosy reactions are the main causes of peripheral nerve damage and sequelae of the disease. There is no laboratory test that alone allows the identification of these episodes, causing delays in their diagnosis and treatment. The objective of this study was to propose a methodology based on Fourier transform infrared (FTIR) spectroscopy to detect leprosy reactions in the saliva of leprosy patients, supervised by the clinical diagnosis of these episodes. A total of 131 saliva samples were included and analyzed by attenuated total reflection (ATR)-FTIR; a supervised analysis with partial least squares discriminant analysis (PLS-DA), after orthogonal signal correction (OSC), was used to classify the samples into two groups: with and without leprosy reactions. The PLS-DA model with one latent variable and one OSC component showed 100 % sensitivity and specificity both in the calibration and prediction sets. Thus, all samples were correctly classified, allowing the diagnosis of leprosy reactions in saliva with high accuracy. Therefore, the FTIR-based chemometric model proved promising for the rapid and early identification of these episodes, contributing to clinical management of patients with leprosy.

麻风病是一种慢性肉芽肿性、传染性和致残性疾病，其病原是麻风分枝杆菌和麻风分枝杆菌病。麻风病反应是周围神经损伤和该病后遗症的主要原因。没有单独的实验室测试可以识别这些发作，导致其诊断和治疗的延误。本研究的目的是提出一种基于傅立叶变换红外（FTIR）光谱的方法来检测麻风患者唾液中的麻风反应，并以这些事件的临床诊断为指导。采用衰减全反射(ATR)-FTIR分析131份唾液样本；经正交信号校正（OSC）后，采用偏最小二乘判别分析（PLS-DA）的监督分析将样本分为两组：有麻风反应和无麻风反应。具有一个潜在变量和一个盐含量成分的PLS-DA模型在校准集和预测集上的灵敏度和特异性均为100 %。因此，所有样本都被正确分类，使得唾液中麻风病反应的诊断具有很高的准确性。因此，基于ftir的化学计量模型有望快速和早期识别这些事件，有助于麻风患者的临床管理。

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引用次数: 0