Frontiers in Chemistry最新文献

{"title":"Investigation of illicit pregabalin in seized samples from Saudi Arabia.","authors":"Fatimah M Alamri, Sultan K Alshmmari, Monerah A Altamimy, Ibrahim A Al Othaim, Yahya M Alshehri, Rayed M Alafraa, Ahmed D Almalki, Turki A Alkhalifah, Taher Sahlabji, Abubakr M Idris, Haitham Al-Hamoud, Yahya F Jamous, Fahad S Aldawasri","doi":"10.3389/fchem.2025.1594567","DOIUrl":"10.3389/fchem.2025.1594567","url":null,"abstract":"<p><strong>Introduction: </strong>Pregabalin (PGL) is a medication that is prescribed for controlling specific neurological-related symptoms. Due to its abuse in multiple countries, PGL has been classified as a controlled substance by authorities, including the Saudi Food and Drug Authority (SFDA).</p><p><strong>Methods: </strong>This study developed a validated ultra-performance liquid chromatography-photodiode array detector (UPLC-PDA) method to quantify PGL in 40 seized samples (35 capsules, 5 powders). A complementary liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was used to detect potential adulterants.</p><p><strong>Results: </strong>The UPLC-PDA method demonstrated linearity (r = 0.9973) for PGL quantification (0.50-3.00 mg/mL), with an accuracy of 96%-102%. The RSD% values were 0.63% and 1.03% for intra-day and inter-day precision, respectively. Analysis of the five powder samples revealed a relative inconsistency in PGL content (107.91%-114.55%). Moreover, it showed higher variability in PGL content (RSD 1.16%-5.30%), suggesting possible adulteration or poor manufacturing. Furthermore, the results of the nuclear magnetic resonance (NMR) showed an acceptable purity for the powder samples. On the other hand, among 35 capsules, 5 (14.29%) exceeded pharmacopeial limits (95%-105% PGL content), while 6 (17.14%) contained <95% PGL.</p><p><strong>Discussion: </strong>These results demonstrate significant variability in PGL content and the presence of adulterants, underscoring the need for robust analytical methods in forensic chemistry. Furthermore, the LC-MS/MS method detected adulteration of PGL with codeine, paracetamol, and gabapentin in 2.9% of the analyzed capsules, suggesting custom mixing by perpetrators. In general, 31.43% of these samples failed to meet quality standards and contained substances beyond declared contents that posed toxicity risks, revealing inadequacies in illicit drug production and circulation. The UPLC-PDA method offers a rapid, validated approach for PGL quantification, while LC-MS/MS enhances adulterant detection, supporting forensic and quality control applications.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1594567"},"PeriodicalIF":4.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12326260/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144793849","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":"Decoding JFT: a multifunctional fluorescence probe for sulfite and viscosity insights.","authors":"Hua Han, Bin Han, Yongjin Peng, Yuling Liu","doi":"10.3389/fchem.2025.1642191","DOIUrl":"10.3389/fchem.2025.1642191","url":null,"abstract":"<p><p>This study focuses on a multifunctional fluorescence probe JFT based on the FRET (Fluorescence Resonance Energy Transfer) and TICT (Twisted Intramolecular Charge Transfer) mechanism. JFT combines an electron donor and an acceptor, enabling it to detect sulfite and monitor intracellular viscosity. When reacting with sulfite, its electronic structure changes, turning off FRET and altering fluorescence wavelength and intensity. In different viscosity environments, the rotation of carbon-carbon bonds in the electron acceptor structure of JFT varies, affecting non-radiative transition pathways and fluorescence intensity. Theoretical calculations based on TDDFT reveal the electron distribution changes before and after the reaction with sulfite species, consistent with experimental phenomena. These findings deepen the understanding of the FRET mechanism of fluorescence probes and offer theoretical guidance for the design of more efficient fluorescence probes.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1642191"},"PeriodicalIF":4.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12325367/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144793847","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":"Editorial: Catalysis and sensing for our environment.","authors":"Tony D James, William D G Brittain, Daniel T Payne, Alexander J Cresswell, Tsuyoshi Minami, Robert B P Elmes","doi":"10.3389/fchem.2025.1660145","DOIUrl":"https://doi.org/10.3389/fchem.2025.1660145","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1660145"},"PeriodicalIF":4.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12326259/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144793848","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":"Two-dimensional vacancy-doped MXene nanomaterials for supercapacitors.","authors":"Yi Tang, Zhao Bi, Yangyang Xie, Xiaodie Xuan, Chenhui Yang","doi":"10.3389/fchem.2025.1656521","DOIUrl":"10.3389/fchem.2025.1656521","url":null,"abstract":"<p><p>Supercapacitors (SCs) are high-performance electrochemical energy storage devices, and their performance hinges on the electrode materials. 2D MXene nanomaterials, with their excellent conductivity, tunable interlayer spacing, and rich surface chemistry, have emerged as highly promising electrode materials for SCs. However, the capacitive performance of intrinsic MXene fails to meet application requirements. This review first introduces the composition and principles of SCs in detail, then summarizes the pure MXene nanomaterials in SCs, and systematically explores the regulatory mechanisms of vacancy doping strategies on MXene material structure and capacitive performance. The study reveals the structure-property relationships, providing theoretical basis and direction for designing high-performance MXene-based SCs electrode materials.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1656521"},"PeriodicalIF":4.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12325176/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144793851","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":"Research progress on the chemical composition of galli gigeriae endothelium corneum.","authors":"Guo-Lian Gan, Hongxin Zhou, Zhen-Bin Lin, Xiang Li, Jing-Jin Lin, Li Zhang","doi":"10.3389/fchem.2025.1644192","DOIUrl":"10.3389/fchem.2025.1644192","url":null,"abstract":"<p><p>Galli Gigeriae Endothelium Corneum (GGEC), commonly known as \"Ji Nei Jin\" in traditional Chinese medicine (TCM), is derived from the dried inner lining of the chicken gizzard. It has been widely used for centuries in China for treating indigestion, enuresis, gallstones, and urinary calculi. Recent studies have revealed that GGEC contains a variety of bioactive constituents, including proteins, amino acids, peptides, enzymes, and trace elements, which contribute to its diverse pharmacological activities. Modern pharmacological investigations have demonstrated its efficacy in promoting gastrointestinal motility, enhancing digestive enzyme activity, regulating glucose metabolism, dissolving stones, and exerting anti-inflammatory and hepatoprotective effects. Moreover, clinical and experimental research has supported its potential as an adjunct in treating metabolic and digestive disorders. Despite these promising findings, limitations such as unclear mechanisms of action, lack of standardized preparations, and insufficient clinical trials hinder its broader application. This review aims to summarize the traditional uses, chemical constituents, pharmacological activities, and current research progress of GGEC, and to provide a reference for future studies and clinical utilization.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1644192"},"PeriodicalIF":4.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12325334/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144793850","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":"Editorial: Sustainable synthesis for obtaining elements of natural origin with antimicrobial properties.","authors":"Jose Vega-Baudrit, Yohann Corvis, Patricia Vázquez, Romina Andrae Arreche","doi":"10.3389/fchem.2025.1664305","DOIUrl":"https://doi.org/10.3389/fchem.2025.1664305","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1664305"},"PeriodicalIF":4.2,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12321892/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144788606","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":"Simultaneous determination of 101 volatile organic compounds released from plastic runway tracks based on the environmental chamber-canister sampling-three-stage cold trap preconcentration-gas chromatography-mass spectrometry/flame ionization detection method.","authors":"Gan Liu, Yong Ma, Hong Wang, Yanrong Meng, Yu Huang, Weitao Zheng","doi":"10.3389/fchem.2025.1605810","DOIUrl":"10.3389/fchem.2025.1605810","url":null,"abstract":"<p><p>This paper provides a strategy for detecting and monitoring volatile organic compounds released from plastic runway tracks. The method applies a simultaneous determination of 101 VOCs based on the environmental chamber-canister sampling-three-stage cold trap preconcentration-gas chromatography-mass spectrometry/flame ionization detection (GC-MS/FID) method. For this purpose, an environmental chamber, SUMMA canisters, an atmospheric pre-concentrator, and a GC-MS/FID dual detection setup were adopted to collect VOCs released from plastic athletic tracks in an environmental chamber, followed by their preconcentration in a three-stage cold trap including glass-bead cold trap concentration, Tenax tube cold trap concentration, and capillary glass tube absorption focusing. Qualitative and quantitative analyses of VOCs were conducted. The obtained results showed that the optimal environmental parameters for releasing VOCs from plastic runway tracks were an ambient temperature of 60°C, a relative humidity of 5%, an air exchange rate of 1.0 h^-1, and a release time of 24 h. The established method showed a linear relationship within a range from 0.8 to 16.0 ppb, with linear correlation coefficients for different compounds ranging from 0.9546 to 1.0000. The detection limits of the method ranged from 0.01 to 0.74 μg·m^-3 (equivalent to 0.005-0.220 ppb, at 60°C and 1 atm), the relative error (n = 7) was between -10.16% and 12.84%, and the relative standard deviation (n = 7) was from 0.16% to 4.94%. The released VOCs can be divided into seven categories, including alkanes, alkenes, alkynes, aromatic hydrocarbons, halogenated hydrocarbons, oxygenated organic compounds, and nitrogenous organic compounds. Acetone (Z)-1,2-dichloroethene, 3-methylheptane, n-octane, n-decane, n-butane, trans-2-pentene, styrene, and 1,1,2,2-tetrachloroethane were common VOCs contained in athletic plastic tracks. The established simultaneous determination of VOCs based on the environmental chamber-canister sampling-three-stage cold trap preconcentration-GC-MS/FID method showed good linear and correlation relationships, high sensitivity and precision, and strong repeatability, which is suitable for the qualitative and quantitative detection of 101 kinds of VOCs from plastic athletic tracks. Finally, it was concluded that small differences in the mass concentration of the main VOC monomers appear in different athletic plastic tracks.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1605810"},"PeriodicalIF":4.2,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12319558/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144783933","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":"Integrative UHPLC-HRMS and computational biology reveal ferroptosis and anoikis targeting by Wenpitongluo decoction in cardiorenal syndrome.","authors":"Xinxin Mao, Shuqing Shi, Chunmei Chen, Yumeng Li, Bingxuan Zhang, Qingqiao Song","doi":"10.3389/fchem.2025.1617676","DOIUrl":"10.3389/fchem.2025.1617676","url":null,"abstract":"<p><strong>Background: </strong>The Wenpitongluo Decoction (WPTLD) was a classical herbal formula composed of medicinal herbs with both edible and therapeutic properties. It demonstrated clinical efficacy in treating Cardiorenal Syndrome (CRS), though its mechanism of action remained unclear. Although inflammatory and oxidative stress pathways in CRS have been intensively studied, the roles of ferroptosis and anoikis, which may be activated by these pathways, have received little attention.</p><p><strong>Methods: </strong>First, the active components of WPTLD were obtained through the TCMSP and Herb databases, and then identified using UHPLC-HRMS. Subsequently, target prediction of the identified components was carried out via the SwissTargetPrediction platform. While CRS-related targets were retrieved from GEO, GeneCards, and PharmGKB. A gene library of ferroptosis- and anoikis-associated targets was established. Tissue-specific mRNA expression profiles were analyzed via BioGPS. Subsequently, protein-protein interaction (PPI) networks were constructed to identify core targets, followed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses using Metascape. Finally, molecular docking assessed binding affinities between active components and core targets, with top-ranked complexes undergoing molecular dynamics (MD) simulations.</p><p><strong>Results: </strong>Fifteen bioactive components and 39 component-disease interaction targets were identified, predominantly localized in kidney, thymus, lung, adipocytes, adrenal gland, and heart tissues. Topological analysis of PPI networks revealed eight core targets, including ferroptosis-/anoikis-associated SIRT1, PTGS2, and PRKCA. KEGG analysis highlighted critical pathways such as AMPK and PI3K-Akt signaling. Notably, molecular docking and MD simulations demonstrated stable binding between active compounds and core targets.</p><p><strong>Conclusion: </strong>This study systematically deciphers WPTLD's anti-CRS mechanisms via targeting ferroptosis- and anoikis-related genes through multi-pathway modulation. These findings not only clarify the pathological roles of ferroptosis and anoikis in CRS but also provide a computational framework for developing therapeutic strategies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1617676"},"PeriodicalIF":4.2,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12319559/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144783932","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":"The Faraday efficiency of nitrate reduction reactions and selectivity of final product for electrocatalysts Cu/Co-OH/CF by tuning the content of Co source.","authors":"Li Li, Qiang Wang, Yanling Chen, Xuan Chen, Quguo Shi","doi":"10.3389/fchem.2025.1599613","DOIUrl":"10.3389/fchem.2025.1599613","url":null,"abstract":"<p><p>Efficient and selective electrocatalytic reduction of nitrate (NO₃ ^-) to ammonia (NH₃) is a crucial step in addressing environmental and energy challenges. Here, we present the synthesis and characterization of Cu/CF, Co-OH/CF, and a series of Cu/Co-OH/CF electrocatalysts on copper foam (CF) substrates using a hydrothermal method. These catalysts were utilized as working electrodes for nitrate reduction, resulting in the production of NH₃. Through X-ray photoelectron spectroscopy (XPS) analysis, we confirm the presence of metallic Cu species and oxidized Co²⁺ states in the electrocatalysts, indicating the successful formation of Cu/Co-OH/CF composites. By precisely controlling the quantities of cobalt in the composite, we demonstrate the ability to finely tune the nitrate reduction efficiency and selectivity of the final product. Notably, our findings reveal that the Co-(OH) species in the Cu/Co-OH/CF electrocatalysts play a pivotal role in determining the selectivity of the final product by effectively suppressing the undesired hydrogen evolution reaction. Simultaneously, Cu acts as an active component in the reduction of NO₃ ^- into ammonia. Our work offers valuable guidance for designing advanced electrocatalytic systems with enhanced Faraday efficiency and selectivity, thereby contributing to the development of sustainable and efficient nitrate reduction technologies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1599613"},"PeriodicalIF":4.2,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12313658/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144775037","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":"MicroRNA-31 mediated inhibition of keratin 6 by PSORI-CM01: a novel approach to psoriasis amelioration.","authors":"Shilei Wang, Jingkai Wang, Helin Pan, Ruogu Yang, Fanli Zeng, Yongfei Fang, Jinwei Zhang","doi":"10.3389/fchem.2025.1636529","DOIUrl":"10.3389/fchem.2025.1636529","url":null,"abstract":"<p><strong>Background: </strong>Psoriasis vulgaris is a serious noncommunicable disease, with no clear cause or cure. Expression of microRNA-31 (miR-31) is significantly increased in the cutaneous tissue of psoriasis vulgaris patients. Keratin 6 (Krt6) serves as a pivotal biomarker in the diagnostic and therapeutic approaches for psoriasis vulgaris. PSORI-CM01, a traditional Chinese medicine formulation comprising seven medicinal herbs, is employed in China for the therapeutic management of psoriasis vulgaris. However, its anti-psoriatic mechanism warrants further investigations. In this study, the underlying anti-psoriasis mechanism of PSORI-CM01dependent of miR-31 and Krt6 was explored.</p><p><strong>Methods: </strong><i>In vivo</i>, BALB/c mice were subjected to treatment with imiquimod (IMQ) to establish a psoriasis-like murine model. These psoriasis-like mice were then administered varying concentrations of PSORI-CM01. Following this, evaluations were performed on their Psoriasis Area and Severity Index (PASI) scores, epidermal thickness, and the expression levels of miR-31 and Krt6. HaCaT cells were subjected to treatment with interleukin-6 (IL-6) to create a psoriasis-like cellular model. Following this, the psoriasis-like keratinocytes were administered varying concentrations of PSORI-CM01, and the expression levels of miR-31 were quantified. In addition, these psoriasis-like keratinocytes were transfected with miR-31 mimics and subsequently treated with PSORI-CM01. The expression levels of Krt6 were then quantified and subjected to analysis.</p><p><strong>Results: </strong><i>In vivo</i>, PSORI-CM01 significantly alleviated the clinical-like manifestations of erythema, scales, and thickening in psoriasis-like mice, and it also reduced the PASI scores; Different concentrations of PSORI-CM01 significantly decreased epidermal thickness and the expression of miR-31 and Krt6 in psoriasis-like mice in a dose-dependent manner. <i>In vitro</i>, PSORI-CM01 significantly inhibited the expression of miR-31 and Krt6 in psoriasis-like keratinocytes; However, the decreased Krt6 protein expression was restored by miR-31 mimics.</p><p><strong>Conclusion: </strong>PSORI-CM01 may improve psoriasis-like lesions by inhibiting expression of Krt6 protein dependent of miR-31.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1636529"},"PeriodicalIF":4.2,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12313620/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144775036","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}