Frontiers in Chemistry最新文献

{"title":"Predict potential pharmacological mechanisms of Ling-gui-Zhu-gan Decoction in treating unstable angina pectoris using liquid chromatography-mass spectrometry and network pharmacology.","authors":"Xiaopeng Li, Tan Xue, Panpan Zhang, Fengyu Dong, Han Li, Jing Yao, Haiying Huang, Lizhuang Zhang, Ruixin Liu","doi":"10.3389/fchem.2025.1649538","DOIUrl":"10.3389/fchem.2025.1649538","url":null,"abstract":"<p><strong>Introduction: </strong>Ling-Gui-Zhu-Gan Decoction (LGZGD), one of the first batches of classical Chinese prescriptions formally recognized by the Chinese government, has a long-standing history of clinical application and significant potential for modern development. However, the chemical composition and content of different types of pharmaceutical preparations are not clear.</p><p><strong>Methods: </strong>This study aimed to develop an analytical approach integrating HPLC and UHPLC-Q-Orbitrap/MS to comprehensively characterize the chemical constituents of LGZGD across different preparation stages and to investigate its pharmacodynamic basis in the treatment of unstable angina pectoris (UA) using network pharmacology. The content and transfer rate of six index components were quantified using HPLC.</p><p><strong>Results: </strong>A total of 75 compounds were identified via UHPLC-Q-Orbitrap/MS, comprising 24 flavonoids, 25 organic acids, nine phenylpropanoids, eight terpenoids, five saponins, and four other compounds, based on precursor ion peaks and fragment ion spectra. Notably, five compounds-(-)-pterocarpin glucoside, γ-aminobutyric acid, calycosin, trimethyl citrate, and proline-phenylalanine-were absent following the drying of the concentrate. Using the LC-MS data as a foundation, network pharmacology and molecular docking analyses were conducted to elucidate the pharmacodynamic components responsible for LGZGD's therapeutic effects on UA. This integrative analysis identified three key active compounds-naringenin, glycyrrhizin, and calycosin-and three core targets: TNF, EGFR, and PTGS2.</p><p><strong>Discussion: </strong>The analytical method established in this study effectively delineates the chemical profile and index component transfer dynamics of LGZGD preparation intermediates, providing essential data for the development of both liquid and solid dosage forms. The constructed \"medicine-component-target-pathway-disease\" network preliminarily reveals the multi-component, multi-target, and multi-pathway mechanisms by which LGZGD may exert therapeutic effects on UA. This work provides a scientific foundation for its clinical application, supporting rational drug use and formulation development.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1649538"},"PeriodicalIF":4.2,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12358372/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144882541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"<i>Citrus aurantifolia</i> essential oil: antiaging potential through integrated <i>in vitro</i> and <i>in silico</i> studies.","authors":"Yasmin A Elkhawas, Mahmoud A El Hassab, Omkulthom Al Kamaly, Ahmed T Negmeldin, Taghreed A Majrashi, Wagdy M Eldehna, Nada M Mostafa","doi":"10.3389/fchem.2025.1577871","DOIUrl":"10.3389/fchem.2025.1577871","url":null,"abstract":"<p><strong>Introduction: </strong>Natural skincare products and cosmetic preparations have gained popularity among consumers in recent years, prompting cosmetic companies to develop more natural offerings. These products often incorporate plant extracts known for their anti-aging, anti-wrinkle, and depigmentation properties.</p><p><strong>Methods: </strong>Using gas chromatography-mass spectrometry, this study examined the volatile compounds in both fresh and dry <i>Citrus aurantifolia</i> (key lime) fruit essential oils. The oils' anti-aging and antioxidant activities were assessed through <i>in vitro</i> anti-collagenase and anti-elastase assays.</p><p><strong>Results: </strong><i>In vitro</i> analysis revealed good inhibition of elastase and collagenase enzymes by fresh key lime essential oil, with IC₅₀ values of 145.02 and 63.97 μg/mL, respectively, compared to positive controls (daidzein for collagenase, piroxicam for elastase), in comparison to dry key lime oil (IC₅₀ = 223.14 and 109.57 μg/mL, respectively). The antioxidant activity of the oils was evaluated using the ABTS (2,2'-azino-bis(3-ethylbenzothiazoline6-sulfonic acid)) radical scavenging assay. The fresh key lime oil demonstrated stronger antioxidant activity (37.76 ± 0.80 μM Trolox equivalent (TE)/g) compared to the dry key lime oil (27.76 ± 1.11 μM TE/g), suggesting that it retains more bioactive compounds essential for radical scavenging activity. Additionally, molecular docking was performed to analyze interactions between the main metabolites and the targeted enzymes active sites. Molecular docking analysis showed excellent binding scores for the three main metabolites.</p><p><strong>Conclusion: </strong>The anti-aging potential of fresh key lime essential oil may be attributed to its major compounds. These findings suggest that key lime essential oil could be a promising natural ingredient for anti-aging skincare formulations.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1577871"},"PeriodicalIF":4.2,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12354521/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144872298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and synthesis of 3,4-<i>seco</i>-Lupane triterpene derivatives: targeting tumor angiogenesis and inducing apoptosis in triple-negative breast cancer.","authors":"Chunyu Gao, Hongbo Teng, Wenxin Zhang, Yaru Zhao, Chunguo Cui, Zerbo Patrice, Liyan Wang, Yan Zhao","doi":"10.3389/fchem.2025.1630939","DOIUrl":"10.3389/fchem.2025.1630939","url":null,"abstract":"<p><strong>Background: </strong>Due to the lack of effective treatment methods and targeted drugs, triple-negative breast cancer (TNBC) is not only difficult to treat clinically, but also has a poor prognosis for patients. This study aims to develop novel anti-TNBC drug candidates by designing 90 derivatives of 3,4-<i>seco</i>-lupane triterpene derivatives, a natural product of the genus Eleutherogenus.</p><p><strong>Methods: </strong>Firstly, 90 derivatives were synthesized and screened, and the compound I-27 showed excellent cytotoxicity (IC₅₀=1.02 μM) for MDA-MB-231 cells for further activity verification. Then in vitro tests were carried out to detect the effects of the compound on the proliferation, migration, invasion and apoptosis of TNBC cells. With the help of transcriptomics, the mechanism of action was explored and verified. At the same time, its inhibitory effect on tumor volume and lung metastasis was verified through a mouse model of in vivo test, and its mechanism of action was further verified.</p><p><strong>Results: </strong>In vitro tests showed that compound I.-27 could effectively inhibit the proliferation, migration and invasion of TNBC cells, and induce apoptosis. Transcriptomic analysis revealed that it has a dual mechanism of action. On the one hand, it inhibits tumor angiogenesis through the ID1/TSP-1 pathway. On the other hand, it promotes apoptosis through the PI3K/AKT/FoxO1 signaling pathway. In vivo tests, the compound significantly reduced tumor volume and inhibited lung metastasis through mouse models. It further confirmed that ID1 is a key target for anti-tumor.</p><p><strong>Conclusions: </strong>In this study, an anti-TNBC drug with multiple mechanisms was developed from the triterpenoids of 3,4-3,4-<i>seco</i>-lupane triterpene derivatives for the first time, and the mechanism of action was clarified by combining transcriptomics, molecular docking and gene knockout technologies. Compound I-27 provides a potential breakthrough for the treatment of triple-negative breast cancer as a potential therapeutic candidate with a novel action mechanism and high potency.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1630939"},"PeriodicalIF":4.2,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12351286/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144872299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies.","authors":"Abdulaziz H Al Khzem, Shaban Ahmad","doi":"10.3389/fchem.2025.1662748","DOIUrl":"https://doi.org/10.3389/fchem.2025.1662748","url":null,"abstract":"<p><p>[This corrects the article DOI: 10.3389/fchem.2025.1611972.].</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1662748"},"PeriodicalIF":4.2,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12340995/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144834625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"<i>In silico</i> design of novel dihydropteridone derivatives with oxadiazoles as potent inhibitors of MCF-7 breast cancer cells.","authors":"Mourad Aloui, Mohamed El Fadili, Mohammed Er-Rajy, Somdutt Mujwar, Hatem A Abuelizz, Sara Er-Rahmani, Elhalaoui Menana","doi":"10.3389/fchem.2025.1590593","DOIUrl":"10.3389/fchem.2025.1590593","url":null,"abstract":"<p><strong>Introduction: </strong>Pharmaceutical treatment protocols or combination therapies based on chemical compounds make it possible to target cancer cells, which can be complicated by several factors, including their resistance to bioactive compounds and the potential for drugs to damage certain healthy cells.</p><p><strong>Methods: </strong>This project was designed to assess the structural relationship between new dihydropteridone-derived compounds bearing an oxadiazole moiety and their corresponding cytotoxicity against breast cancer, using computational chemistry tools. The aim of this research is to better understand how compound properties influence their activity and to understand the underlying mechanisms, which could then be integrated into the anticancer drug design process with a view to recommending new optimized compounds likely to have the desired activity.</p><p><strong>Results and discussions: </strong>The results show that the predicted molecules possess enhanced selective cytotoxic inhibitory activity against breast cancer cells (MCF-7). Guided by these analyses, we designed five novel dihydropteridone derivatives incorporating an oxadiazole moiety. These compounds exhibited favorable interactions with key breast cancer-related proteins, demonstrated enhanced dynamic stability within their binding sites, and adhered to established drug-likeness principles. Importantly, these compounds displayed promising oral absorption (88%) in preliminary assessments and exhibited no significant toxicity. These findings suggest that these novel dihydropteridone-oxadiazole derivatives warrant further investigation as potential multifunctional agents for the treatment of breast cancer cells (MCF-7).</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1590593"},"PeriodicalIF":4.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12336981/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144821016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"UPLC fingerprinting combined with quantitative analysis of multicomponents by a single marker for quality evaluation of YiQing granules.","authors":"YangHong Li, Bao Yu, Wei Zhao, Xiyu Pu, Xue Zhong, Xingbao Tao, Yunhong Wang, Weiguo Cao, Dan Zhang","doi":"10.3389/fchem.2025.1632033","DOIUrl":"10.3389/fchem.2025.1632033","url":null,"abstract":"<p><strong>Research background: </strong>YiQing granules (YQGs) are a patented drug commonly used in clinics in China. However, the quality control index of this preparation is relatively limited, which does not effectively ensure the quality of the product. Thus, a comprehensive quality evaluation of YQGs is lacking.</p><p><strong>Objective: </strong>The aim of this study was to establish a method for quantitative and qualitative analysis of YQGs based on ultra-high performance liquid chromatography-photodiode array detector (UPLC-PAD) fingerprint combined with quantitative analysis of multicomponents by a single marker (QAMS).</p><p><strong>Methods: </strong>We established and verified the comprehensive evaluation method that UPLC fingerprint combined with QAMS and stoichiometric method, to assess the overall quality of YQGs produced by different manufacturers. Berberine was selected as an internal reference, and the relative correction factors of coptisine, epiberberine, baicalin, berberine, palmatine, wogonoside, baicalein, wogonin, aloe-emodin, rhein, emodin, and chrysophanol were established.</p><p><strong>Study results: </strong>Results showed that the experimental time of the fingerprint was significantly reduced to approximately 0.5 h using the UPLC-PAD method. A total of 32 common peaks with similarity greater than 0.9 were identified. The accuracy of QAMS was compared with the external standard method, with no significant difference between the two methods.</p><p><strong>Conclusion: </strong>The UPLC fingerprint combined with QAMS method established in this study is feasible and reliable; it can be used for the comprehensive quality evaluation of YQGs and can provide a reference for the quality evaluation of other traditional Chinese medicine preparations.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1632033"},"PeriodicalIF":4.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12336232/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144820975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational advances in the design and discovery of artemis inhibitors for radiosensitization in cancer therapy.","authors":"Maryam Bashir, Usman Abdullah, Sadia Nazir, Farhan Siddique, Nasir Jalal","doi":"10.3389/fchem.2025.1597454","DOIUrl":"10.3389/fchem.2025.1597454","url":null,"abstract":"<p><strong>Introduction: </strong>Artemis is a key scaffold repair protein involved in the non-homologous end-joining (NHEJ) DNA repair pathway and is encoded by the DCLRE1C gene in humans. Its inhibition disrupts double-strand break (DSB) repair, sensitizing cancer cells to ionizing radiation (IR). However, no Artemis-targeted inhibitors are currently available for therapeutic use. This study aims to identify and characterize novel small-molecule Artemis inhibitors that act as potential radiosensitizers in cancer treatment.</p><p><strong>Methods: </strong>Micronuclei formation was assessed in Artemis-deficient (CJ179), proficient (1BR3), and mutant (48BR) cell lines following 1 Gy IR exposure. Initial in vitro screening identified HMAD as a potential Artemis inhibitor. A focused virtual screening of 69 compounds was performed using AutoDock4 and Glide to evaluate binding affinity to Artemis. The top 16 compounds (ΔG < -8.0 kcal/mol) were further analyzed. Density Functional Theory (DFT) calculations at the B3LYP/6-311+G(d,p) level were used to assess frontier molecular orbitals and reactivity. ADMET profiling was conducted to evaluate pharmacokinetic properties. Compounds 42 and 51 were subjected to 100 ns molecular dynamics (MD) simulations with MMGBSA binding free energy calculations, PCA, and FEL analysis.</p><p><strong>Results: </strong>CJ179 cells exhibited significantly higher micronuclei post-irradiation, confirming Artemis's role in DNA repair. Among the top hits, compound 42 showed a highly stable binding profile, with a favorable MMGBSA binding energy of -36.94 kcal/mol. ADMET analysis indicated optimal drug-like properties. MD simulations revealed stable interaction trajectories, hydrogen bonding, and a narrow binding pocket. PCA and FEL analysis further supported the dynamic stability of compound 42.</p><p><strong>Discussion: </strong>This study identifies compound 42 as a promising Artemis inhibitor with potential as a radiosensitizing agent. The integrated <i>in vitro</i> and computational findings offer a foundation for further preclinical development, contributing to more effective radiotherapy strategies in cancer treatment.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1597454"},"PeriodicalIF":4.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12336226/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144821017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of nano and microformulations to improve the leishmanicidal response of quinoline compounds: a brief review.","authors":"Angel H Romero, Karina N Gonzalez, Marcos A Sabino","doi":"10.3389/fchem.2025.1622566","DOIUrl":"10.3389/fchem.2025.1622566","url":null,"abstract":"<p><p>The quinolines represent an important scaffold for the development of leishmanicidal agents. In particular, the use of nano and microformulations has emerged as a powerful tool to improve the therapeutic profile of leishmanicidal drugs, favoring bioavailability, transportation to key targets, metabolic protection, and immunostimulating responses. This mini-review seeks to provide a general perspective about the use of nano/microencapsulation for the development of leishmanicidal formulations based on quinoline, giving an overview of the various cases of encapsulation, analyzing the repercussions of the type of polymeric matrix (synthetic or natural polymer), type of formulation (polymeric or metallic nanoparticles, micelles, liposomes, etc.), drug loading percentage, and release rate of quinoline drug.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1622566"},"PeriodicalIF":4.2,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12331655/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144816194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical laser cooling feasibility study of ZrH molecule at the fine structure level.","authors":"Ghina Chamieh, Lokman Awad, Nayla El-Kork, Mahmoud Korek","doi":"10.3389/fchem.2025.1603873","DOIUrl":"10.3389/fchem.2025.1603873","url":null,"abstract":"<p><p>A theoretical electronic structure calculation of the ZrH molecule is conducted via <i>ab initio</i> Complete Active Space Self-Consistent Field and the Multireference Configuration Interaction with Davidson correction calculation (CASSCF/MRCI + Q). The adiabatic potential energy curves (PECs) for the 53 low-lying electronic states in the representations of ^2s+1Λ^(+/-) and Ω^(+/-) for ZrH molecule have been investigated along with the internuclear distance R_e, the harmonic frequency ω_e, the dipole moment μ, the rotational constant B_e and the electronic transition energy with respect to the ground state T_e. are calculated. By using the canonical function approach, the vibrational energy E_v, the rotational constants B_v, the centrifugal constants D_v, and the turning points R_min and R_max have been calculated up to the vibrational level v = 18. Based on the investigated data, the Franck-Condon factors, the Einstein coefficient, the radiative lifetimes, and the vibrational branching ratio for the transitions X²Δ_3/2 - (1)⁴Φ_3/2, X²Δ_3/2 - (1)⁴Φ_5/2, X²Δ_3/2 - (1)²Π_3/2 have been calculated. The large value of the radiative lifetimes in (ms) for these transitions proves that this molecule is not a good candidate for direct laser cooling.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1603873"},"PeriodicalIF":4.2,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12331741/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144816196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid detection of <i>Pseudomonas aeruginosa</i> by glycerol one-pot RAA/CRISPR-Cas12a method.","authors":"Lijian Wei, Shihua Luo, Weijie Zhou, Baoyan Ren, Miao Li, Lina Liang, Xuebin Li, Guijiang Wei","doi":"10.3389/fchem.2025.1654270","DOIUrl":"10.3389/fchem.2025.1654270","url":null,"abstract":"<p><p><i>Pseudomonas aeruginosa</i> (PA), an opportunistic pathogen commonly responsible for hospital-acquired infections, poses significant threats to human health. To enable rapid and reliable PA detection while effectively mitigating aerosol contamination risks inherent in conventional methods. We developed a glycerol one-pot Recombinase-aided Amplification (RAA)/CRISPR-Cas12a method. Four result reading methods were established: Fluorescence Detection (FD), Blue Light Irradiation Detection (BLD), and Ultraviolet Irradiation Detection (UID), as well as Lateral Flow Chromatography Strip (LFS). The glycerol one-pot RAA-CRISPR/Cas12a method demonstrated high specificity and sensitivity in detecting the PA-specific lasB gene. The detection limit reached 1.20 × 10^-4 ng/μL (fluorescence-based) and 1.20 × 10^-3 ng/μL (LFS-based). In validation against 64 clinical isolates, compared to conventional PCR, the assay achieved 100% sensitivity, specificity, and accuracy in lasB detection. In conclusion, the glycerol one-pot RAA/CRISPR-Cas12a method provides a rapid, sensitive, and straightforward platform, providing a promising approach for clinical diagnosis of PA and environmental surveillance applications.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1654270"},"PeriodicalIF":4.2,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12331700/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144816195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}