Chinese Journal of Analytical Chemistry最新文献

{"title":"Effects of Combretum micranthum against menopause-related osteoporosis based on ADMET, network pharmacology, and experimental validation","authors":"Ouedraogo Elisabeth,&nbsp;Owona Pascal Emmanuel,&nbsp;Tindano Basile,&nbsp;Bilanda Danielle Claude,&nbsp;Zabré Généviève,&nbsp;Tcheutchoua Carlos Yannick,&nbsp;Koussoubé Abdelaziz,&nbsp;Kaboré Tééganimbé Jean Luc,&nbsp;Bidingha A. Goufani Ronald,&nbsp;Ogunlakin Daniel Akingbolabo,&nbsp;Bayala Balé","doi":"10.1016/j.cjac.2026.100736","DOIUrl":"10.1016/j.cjac.2026.100736","url":null,"abstract":"<div><div>Low bone density is a defining feature of osteoporosis. <em>Combretum micranthum</em> is traditionally used in Burkina Faso against osteoporosis. This research sought to assess the effect of <em>Combretum micranthum</em> (AECM) on an osteoporosis model induced by ovariectomy and to conduct molecular docking and ADMET screening of the identified potentially active compounds from the AECM leaves by using <em>in silico</em> techniques.</div><div>A pharmacology network was constructed to identify genes corresponding to active compound targets. Networks of compound targets and protein-protein interactions were constructed using Cytoscape software. To evaluate <em>C. micranthum'</em>s effect on the ovariectomized rats, a sham-operated group and some ovariectomized groups were treated with distilled water or with AECM and estradiol valerate.</div><div>In the <em>in silico</em> study, the extract compounds like myricetin and rhamnazin predicted good pharmacokinetics and low toxicity, with LD₅₀ over 2000 mg/kg bw. <em>C. micranthum</em> extract increased significantly (<em>p</em> &lt; 0.001) femoral calcium and phosphorus, and decreased the urinary calcium and phosphorus compared to the group treated with distilled water. It also reduced oxidative stress and improved lipid profiles. Moreover, the histological report on the femurs of the treated rats showed a correction of the lesions caused by ovariectomy. Myricetin's interaction with hypoxia-inducible factor-1α (HIF-1α), with –95.0929 energy, could have therapeutic potential for osteoporosis.</div><div><em>C. micranthum</em> promoted bone health, offering a promising alternative to conventional osteoporosis treatments with fewer side effects.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100736"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148773181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Amelioration of acute gastritis by Biling Weitong granules: A multi-omics analysis of synergistic PI3K/AKT and NF-κB pathway regulation","authors":"Shuang Li,&nbsp;Weijuan Lei,&nbsp;Ping Sun,&nbsp;Ying Li,&nbsp;Wei Zhang,&nbsp;Yang Li,&nbsp;Yue He,&nbsp;Chenning Zhang","doi":"10.1016/j.cjac.2026.100759","DOIUrl":"10.1016/j.cjac.2026.100759","url":null,"abstract":"<div><h3>Introduction</h3><div>Gastric diseases have become a global health challenge due to infectious agents and unhealthy lifestyles, with a notable trend of rising incidence among younger populations in recent years, including children and adolescents who increasingly suffer from gastric discomfort. Biling Weitong Granules, an improved formulation derived from the classical prescriptions \"Jinlingzi Powder\" and \"Zuojin Pill\", embodies the therapeutic principles of \"unblocking and descending theory\" and \"qi-blood harmony theory\" in spleen-stomach disease treatment. This compound demonstrates efficacy in regulating qi flow, activating blood circulation, harmonizing the stomach, and alleviating pain, making it clinically applicable for various acute and chronic gastric disorders. However, its precise pharmacological mechanisms remain incompletely elucidated.</div></div><div><h3>Methods</h3><div>The chemical components of Biling Weitong Granules (BLWTG) were identified using UHPLC-Q-Orbitrap-MS technology. Subsequently, an acute gastritis mouse model was established by absolute ethanol induction, with histopathological damage to gastric tissues evaluated through H&amp;E staining. An integrated analysis combining network pharmacology, metabolomics, and transcriptomics was then conducted to investigate the mechanism underlying the anti-acute gastritis effects of Biling Weitong Granules. The expression levels of PI3K, AKT, P50, P65, IKKα, IκBα and their phosphorylated forms were detected by Western blotting.</div></div><div><h3>Results</h3><div>This study identified a total of 125 compounds in Biling Weitong Granules through comprehensive analysis. Network pharmacology analysis revealed that the therapeutic effects against acute gastritis may be mediated through key pathways including \"Apoptosis\", \"TNF signaling pathway\", \"JAK-STAT signaling pathway\", and \"PI3K-Akt signaling pathway\". Furthermore, integrated metabolomics and transcriptomics analyses demonstrated that Biling Weitong Granules exert their therapeutic effects by regulating metabolic abnormalities of glutathione and other amino acids, consequently modulating critical cellular processes such as oxidative stress, inflammatory responses, and apoptosis. Western blot analysis revealed that the phosphorylation levels of p-PI3K, p-AKT, p-P65, p-P50, p-IKKα, and p-IκBα were reduced after treatment with Biling Weitong Granules.</div></div><div><h3>Conclusion</h3><div>BLWTG exert therapeutic effects against acute gastritis (AG) by modulating metabolic abnormalities of glutathione and other amino acids, thereby influencing multiple signaling pathways including \"Apoptosis\", \"TNF signaling pathway\", \"JAK-STAT signaling pathway\", and \"PI3K-Akt signaling pathway\". These findings reveal the complex mechanistic basis underlying the anti-AG effects of this traditional Chinese medicine.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100759"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148855188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrigendum to “Targeted Isolation of Glycyrrhizic Acid from the Phloem of Glycyrrhiza glabra via Macroporous Resin” [Chinese Journal of Analytical Chemistry, 2026 (in press), Article Number 100701]","authors":"Xuebin Li,&nbsp;Liwei Zhao,&nbsp;Qingqi Feng,&nbsp;Jianlong Ma","doi":"10.1016/j.cjac.2026.100734","DOIUrl":"10.1016/j.cjac.2026.100734","url":null,"abstract":"","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100734"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148744901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transcriptional reprogramming revealed in degraded mouse liver RNA beyond conventional RIN thresholds","authors":"Yuqi Sheng,&nbsp;Zhiyu Liu,&nbsp;Yuwei Yang,&nbsp;Zi Chen,&nbsp;Qinyu Ge","doi":"10.1016/j.cjac.2026.100743","DOIUrl":"10.1016/j.cjac.2026.100743","url":null,"abstract":"<div><div>The RNA integrity number (RIN) is often regarded as a stringent gatekeeper in transcriptomics, frequently resulting in the exclusion of valuable clinical and field samples. We systematically challenged this prerequisite by simulating ex vivo degradation in mouse liver tissue. Although RIN values declined sharply with exposure to room temperature, the global transcriptome remained robust and showed no correlation with RIN. Importantly, our time-series analysis revealed that RNA degradation is not a source of random noise but a structured, biologically meaningful process. We identified three coordinated transcriptional programs: rapid functional shutdown, acute alarm response, and progressive immune activation. These findings demonstrate that data from low-RIN samples are not compromised but biologically informative. This study presents a novel framework for transcriptomics. RNA degradation is no longer viewed solely as a technical obstacle; instead, it has become a valuable tool for investigating organ-wide stress responses. Additionally, this approach helps maximize the utility of precious biobanked resources.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100743"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148773179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Diagnostic accuracy of bile acid detection via mass spectrometry for intrahepatic cholestasis of pregnancy (ICP): A systematic review and meta-analysis","authors":"Xue-Chun Wang,&nbsp;Jing-Hua Liu,&nbsp;Xiao-Hong Zhang,&nbsp;Min Liu,&nbsp;Dan-Dan Xu,&nbsp;Wei Liu","doi":"10.1016/j.cjac.2026.100732","DOIUrl":"10.1016/j.cjac.2026.100732","url":null,"abstract":"<div><h3>Background</h3><div>The diagnosis of intrahepatic cholestasis of pregnancy (ICP) has traditionally relied on detecting elevated total bile acids. However, measuring total levels may not capture the full diagnostic picture. Mass spectrometry (MS) now allows precise measurement of individual bile acid subtypes. Yet, the clinical diagnostic value of this detailed profile remains unclear. This systematic review and meta-analysis therefore evaluates the diagnostic accuracy of MS-based bile acid analysis for ICP.</div></div><div><h3>Methodology: Search Strategy and Study Selection</h3><div>We systematically queried five databases: PubMed, Web of Science, the Cochrane Library, OVID, and CNKI. Our search strategy incorporated both keywords and Medical Subject Headings (MeSH) related to intrahepatic cholestasis of pregnancy, its diagnosis, and mass spectrometry. Two authors then independently screened the retrieved records, extracted the relevant data, and evaluated the risk of bias in the studies that were included.</div></div><div><h3>Statistical Synthesis</h3><div>The primary goal of our analysis was to determine how well mass spectrometry–based bile acid profiling identifies ICP. We therefore pooled the reported sensitivity and specificity from the selected studies. To present the overall diagnostic accuracy, we constructed a summary receiver operating characteristic (SROC) curve. All statistical work was completed using Stata 17.0, Review Manager 5.4, and Meta-Disc.</div></div><div><h3>Results</h3><div>The present systematic review and meta-analysis evaluated eight studies that focused on two clinical applications of mass spectrometry (MS) in bile acid profiling. For distinguishing ICP from healthy pregnancies (four studies), the assay showed excellent accuracy, with sensitivity at 0.95 (95% confidence interval [CI]: 0.89–0.98), and specificity at 0.95 (95% CI: 0.91–0.98). The diagnostic odds ratio was 332.18 (95% CI: 100.89–1093.71), and the area under the SROC curve reached 0.9860.</div><div>In the comparison between ICP and asymptomatic hypercholanemia of pregnancy (four studies), the method continued to perform well, showing a sensitivity of 0.93 (95% CI: 0.86–0.97) and specificity of 0.92 (95% CI: 0.84–0.97). The diagnostic odds ratio was 156.54 (95% CI: 47.07–520.55), and the SROC area was 0.9735.</div></div><div><h3>Conclusion</h3><div>These findings demonstrate that mass spectrometry-based bile acid profiling provides reliable diagnostic performance for intrahepatic cholestasis of pregnancy, clearly distinguishing it from healthy pregnancies and from asymptomatic hypercholanemia of pregnancy (AHP). Moving forward, key priorities will involve confirming these results in larger, multi-center studies, creating unified international guidelines for clinical application, and resolving the recognized shortcomings of current diagnostic approaches for ICP.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100732"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148773182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single-antibody lateral flow immunoassay with AIE nanoparticles for rapid detection of Bungarus multicinctus venom","authors":"Yang Fu,&nbsp;Feng Xu,&nbsp;Zhangren Yan,&nbsp;Ao Zhan,&nbsp;Zhiruo Chen,&nbsp;Xuanyu Wang,&nbsp;Xiaoli Wu,&nbsp;Wanchun Wang","doi":"10.1016/j.cjac.2026.100750","DOIUrl":"10.1016/j.cjac.2026.100750","url":null,"abstract":"<div><div><em>Bungarus multicinctus</em> (<em>B. multicinctus</em>)envenomation is an acute and potentially fatal condition often mistaken for bites from non-venomous snakes. As a result, it is crucial to diagnose this condition rapidly and accurately. This study presents the development of a rapid test strip for detecting <em>B. multicinctus</em> venom, utilizing aggregation-induced emission nanoparticles (AIENPs) conjugated with the venom as a probe. We established a method for rapid detection using a single antibody on an immunochromatographic strip. The methodologies employed encompass antibody preparation, purification, specificity testing, and the optimization of conditions. The blocking agent should be 2 mg, the conjugation time 3 min, and the minimum amount of AIENPs 1 mg. The results demonstrate that the polyclonal antibody is particular, with the test strip capable of detecting as low as 200 ng/mL of <em>B. multicinctus</em> venom and distinguishing it from other common Chinese snake venoms. The simulation testing of real samples demonstrated a 98% positive rate and a 0% false-positive rate. Although clinical samples were not tested, the strip is sensitive, accurate, and simple, offering significant potential for diagnosing <em>Bungarus</em> snake bites and providing new insights for the development of other test strips.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100750"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148855185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modeling solubility of nevirapine drug in different organic solvents using a reliable method: application of robust machine learning methods","authors":"Khalid Ibrahim Hasan,&nbsp;Karar H. Alfarttoosi,&nbsp;Prakash Kanjariya,&nbsp;Anupam Yadav,&nbsp;Kiran K S,&nbsp;Aman Shankhyan,&nbsp;Helen Merina Albert,&nbsp;Bhavik Jain,&nbsp;Waam Mohammed Taher,&nbsp;Mariem Alwan,&nbsp;Mahmood Jawad,&nbsp;Hiba Mushtaq,&nbsp;Hojjat Abbasi","doi":"10.1016/j.cjac.2026.100744","DOIUrl":"10.1016/j.cjac.2026.100744","url":null,"abstract":"<div><div>Nevirapine is an antiretroviral medication used in the treatment of HIV-1 disease, with primary application as part of combination antiretroviral therapy (ART) to reduce the viral load in the body and improve immune function in people living with HIV. Precise predictions of Nevirapine solubility in different organic solvents allow pharmacists and researchers to identify suitable solvents or solvent combinations to enhance solubility, ensuring that the drug achieves its desired therapeutic concentration. Additionally, accurate models reduce the need for extensive experimental trials, saving time and resources in drug development. This study conducts a comprehensive evaluation of eight artificial intelligence methods for estimating the solubility of Nevirapine in organic solvent mixtures. A dataset comprising 309 solubility measurements in solvents such as methanol, n-propanol, isobutanol, and toluene was compiled and used in order to train eight machine-learning algorithms: ridge regression, lasso regression, extra trees, ensemble learning, random forest, k-nearest neighbors, adaptive boosting, and decision tree models. The Leverage methodology was applied to evaluate the reliability and accuracy of the dataset, identifying only seven data points as outliers. The performance of formed data-driven models was evaluated with the random forest model emerging as the most precise for solubility prediction. Sensitivity analysis revealed that the mole fraction of isobutanol had the least impact on solubility, while temperature had the greatest influence. These findings demonstrate the utility of the proposed methods, offering valuable tools for pharmacists working with Nevirapine.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100744"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148855187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polyphenol contents, antioxidant properties, and anti-lipid peroxidation activity of different ripening myrtle fruit stages Myrtus communis L.","authors":"Olfa Slimeni,&nbsp;Ali Zaiter,&nbsp;Mossadok Ben-Attia,&nbsp;Amadou Dicko,&nbsp;Abderraouf Ben Abderrahman","doi":"10.1016/j.cjac.2026.100735","DOIUrl":"10.1016/j.cjac.2026.100735","url":null,"abstract":"<div><div>This study quantified the total polyphenolic, flavonoid, and condensed tannin content and assessed the antioxidant activity (via DPPH and TBARS assays) of myrtle fruit (<em>Myrtus communis</em> L.) across distinct ripening stages. The ripe stage exhibited the highest phytochemical concentrations: total polyphenols (96.61 mg GAE/g DM), flavonoids (11.02 mg CE/g DM), and condensed tannins (479.6 mg CE/g DM). It also demonstrated the strongest antioxidant activity, with the lowest IC₅₀ value in the DPPH assay (0.008 mg/mL) and the lowest EC₅₀ in the TBARS assay (4.26 μg/mL). LC-MS analysis revealed significant variations in individual polyphenols across maturation, identifying malvidin-3-glucoside as the predominant compound (7.26 × 10⁻⁴ to 2.73 × 10⁻² M). Other quantified phenolics included ellagic acid, quercitrin, quercetin, isoquercetin, 1,5-dicaffeoylquinic acid, naringenin, and kaempferol. GC–MS profiling characterized fatty acid and volatile compositions. Fatty acids shifted from saturated dominance (palmitic acid, 72.67%) in early stages to polyunsaturated predominance (linoleic acid, 48.51%) at ripeness. Volatile terpenoid analysis identified α-pinene as the major constituent (23.52%–25.23%), alongside eucalyptol, caranol, isopulegol, methyl-eugenol, caryophyllene, and humulene. The results comprehensively document the phytochemical evolution during myrtle fruit ripening, highlighting the ripe stage as the richest source of bioactive compounds with potent antioxidant capacity.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100735"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148744644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated UHPLC-MS-based metabolomics and transcriptomic profiling reveal the potential role of Phytolacca latbenia in diabetic kidney disease","authors":"Fengpu Xie,&nbsp;Nan Wang,&nbsp;Run Qian,&nbsp;Zhao Hu","doi":"10.1016/j.cjac.2026.100737","DOIUrl":"10.1016/j.cjac.2026.100737","url":null,"abstract":"<div><div><em>Phytolacca americana</em> (<em>P. americana</em>) is a medicinal plant with well-documented anti-inflammatory and immunomodulatory properties, whereas <em>Phytolacca latbenia</em> (<em>P. latbenia)</em>, a recently documented species from Yunnan, China, represents a promising sustainable alternative. To systematically evaluate its therapeutic potential, we conducted an integrated metabolomics- and transcriptomics-centric investigation, with a primary focus on metabolomic signatures. Root tissues from both species were subjected to comprehensive non-targeted UHPLC-MS metabolomics, incorporating rigorous peak detection, alignment, retention time correction, and high-confidence metabolite annotation using both in-house and public databases. Subsequent pathway contextualization revealed the enrichment of amino acid metabolism, secondary metabolite biosynthesis, and redox-related pathways as central differentiators between the species. Concurrent transcriptomic profiling delineated differential gene expression landscapes, supporting the mechanistic interpretation of metabolic divergence. Integrated multi-omics analysis highlighted 426 differentially accumulated metabolites, with <em>P. latbenia</em> prominently enriched in amino acids, flavonoids, and phenolic acids, while <em>P. americana</em> exhibited elevated glycerolipids and glycerophospholipids. Network pharmacology, molecular docking, and molecular dynamics simulations further demonstrated stable interactions between key up-regulated metabolites, including flavokavain C, and DKD-associated targets such as BTK, BCL2, CXCR4, and TGFBR2. Collectively, these results underscore the central role of metabolomic remodeling in defining the distinct chemical and therapeutic potential of <em>P. latbenia</em>, providing a robust multi-omics rationale for its use as a multi-target therapeutic alternative to <em>P. americana</em> in diabetic kidney disease.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 8","pages":"Article 100737"},"PeriodicalIF":1.4,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148773180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative supramolecular assemblies in traditional decoctions and formula granules of Magnolia officinalis–Glycyrrhiza uralensis: Roles of excipients and thermal history","authors":"Tao Zhang, Qingping Wang, Chongyu Shi, Huiyi Wen, Bo Li, Jianqun Liu","doi":"10.1016/j.cjac.2026.100762","DOIUrl":"https://doi.org/10.1016/j.cjac.2026.100762","url":null,"abstract":"Supramolecular assemblies (SMAs) formed during traditional decoction are increasingly recognized as an important physical-state contributor to the efficacy of traditional Chinese medicine (TCM), but whether these assemblies form reproducibly in Chinese herbal formula granules—and how excipients and thermal history modulate their behavior—remains poorly characterized. We compared the herb pair Magnolia officinalis – Glycyrrhiza uralensis prepared as a traditional co-decoction (MG) and as reconstituted formula granules (MGFG). SMAs were enriched by centrifugation followed by dialysis to yield MG-SMAs and MGFG-SMAs (0, 30, and 60 min re-decoction). An excipient-containing model was generated by adding dextrin, and the corresponding assembly-enriched colloidal fraction was operationally designated MGE-SMAs. We systematically compared assembly morphology and solution-phase colloidal properties using scanning electron microscopy (SEM) and dynamic light scattering (DLS) and probed the assembly microenvironment using Fourier-transform infrared spectroscopy (FT-IR) and ultraviolet–visible spectroscopy (UV–vis). Chemical profiling was performed by Ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry/mass spectrometry (UPLC-Q-TOF-MS/MS) combined with multivariate analyses, and representative constituents were quantified by High-performance liquid chromatography (HPLC). Anti-Staphylococcus aureus activity was evaluated by growth-inhibition curves (OD 600 ), MIC/MBC assays, and Live/Dead staining. The MG decoction presented a highly heterogeneous dispersion (1040.97 ± 91.00 nm; PDI 0.98 ± 0.02), whereas its centrifugation- and dialysis-derived colloidal fraction, MG-SMAs, exhibited a narrower nanoscale particle-size distribution (229.43 ± 3.27 nm; PDI 0.15 ± 0.07) with a similarly weakly negative ζ-potential and reduced conductivity, consistent with enrichment of a defined colloidal fraction. Addition of dextrin and reconstitution from granules increased dispersity (PDI 0.56–0.71) and reduced |ζ| (≈ −7 mV), indicating excipient- and processing-induced heterogeneity. Re-decoction was associated with time-dependent changes in the colloidal properties of MGFG-derived fractions. Compared with unheated MGFG-SMAs, MGFG-SMAs-30 exhibited a lower mean hydrodynamic particle size and PDI, while extending re-decoction to 60 min produced no further reduction in these parameters. UPLC-Q-TOF-MS/MS revealed broadly overlapping component coverage but a preparation-dependent redistribution of metabolites, and HPLC confirmed selective enrichment and depletion trends among marker compounds. Functionally, MG and MG-SMAs showed the same MIC against S. aureus (0.8 mg/mL), whereas excipient-containing systems required higher inhibitory concentrations; among granule-derived samples, MGFG-SMAs-30 produced the strongest inhibition. Although the excipients increased the concentration required for antibacterial inhibition, reheating partially imp","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 9","pages":"100762-100762"},"PeriodicalIF":0.0,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1872204026000708/pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148861116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}