Frontiers in Chemistry最新文献

{"title":"A laboratory-friendly protocol for freeze-drying sample preparation in ToF-SIMS single-cell imaging.","authors":"Xiujuan Shi, Mingru Liu, Yue Qi, Hongzhe Ma, Zhaoying Wang, Yanhua Chen, Zeper Abliz","doi":"10.3389/fchem.2025.1523712","DOIUrl":"10.3389/fchem.2025.1523712","url":null,"abstract":"<p><p>ToF-SIMS is a high spatial resolution imaging technique for cellular or subcellular analysis of biological samples. Accurate molecular data in single-cell studies depend on proper cell morphology and chemical integrity, highlighting the importance of sample preparation. In this work, we standardized a more efficient freeze-drying method using standard lab materials and improved the sample preparation process. Our comprehensive freeze-drying protocol for cellular samples, encompassing washing, fixation, and drying steps, facilitates the acquisition of enhanced cellular information and ensures high reproducibility. These improvements are poised to significantly advance single-cell mass spectrometry imaging research.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1523712"},"PeriodicalIF":3.8,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11925917/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691541","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":"Elicitor-driven enhancement of phenolic compounds in geranium callus cultures: phytochemical profiling via LC-MS/MS and biological activities.","authors":"Amine Elbouzidi, Mohamed Taibi, Abdellah Baraich, Mounir Haddou, Ramzi A Mothana, Sami A Alsufyani, Hany W Darwish, Roland Molinié, Jean-Xavier Fontaine, Ophélie Fliniaux, François Mesnard, Mohamed Addi","doi":"10.3389/fchem.2025.1537877","DOIUrl":"10.3389/fchem.2025.1537877","url":null,"abstract":"<p><p>This research explores the effects of chitosan (CHT) and salicylic acid (SA) as elicitors on the production of phenolic and flavonoid compounds in <i>Pelargonium graveolens</i> Hort. Callus cultures on solid media, aiming to enhance antioxidant, anti-tyrosinase, and anti-elastase properties. Calli were treated with various concentrations of CHT (25, 50, 75, and 100 mg/mL) and SA (25, 50, 75, and 100 µM), and their phytochemical profiles were examined through LC-MS/MS analysis. The findings indicated that salicylic acid (SA) and chitosan (CHT) notably enhanced the levels of total phenolic content (TPC) and total flavonoid content (TFC). The greatest increase in TPC was seen in cultures treated with 25 µM of salicylic acid (SA₂), recording 336.80 ± 8.35 mg/100 g dry weight (DW), and in cultures treated with 100 mg/mL of chitosan (CHT₅), which showed 325.74 ± 7.81 mg/100 g DW. Among individual phenolics, kaempferol showed a remarkable increase under SA₂ (192.82 ± 17.99 mg/100 g DW) compared to the control (103.68 ± 5.00 mg/100 g DW), and CHT₅ treatment (119.68 ± 12.01 mg/100 g DW). Additionally, rutin accumulation peaked at 30.64 ± 3.00 mg/100 g DW under SA₂ treatment. Antioxidant activities, measured by DPPH and TAC assays, were also enhanced, with SA₂ and CHT₅ treatments showing significant improvement over the control. The SA₂-elicited cultures exhibited superior anti-tyrosinase and anti-elastase activities, with IC₅₀ values of 51.43 ± 1.31 μg/mL, 35.42 ± 4.42 μg/mL, and 31.84 ± 0.60 μg/mL, respectively. These findings suggest that elicitors effectively boost the bioactive compound production in <i>P. graveolens</i> calli, and subsequently the biological activity, highlighting their potential in developing natural skincare products with antioxidant and anti-aging benefits.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1537877"},"PeriodicalIF":3.8,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11925866/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691543","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: The influence of metal ions and their complexes on the function and structure of biological macromolecules.","authors":"Miroslaw Gilski, Mannar R Maurya, Boguslaw Nocek, Krzysztof Brzezinski","doi":"10.3389/fchem.2025.1563537","DOIUrl":"https://doi.org/10.3389/fchem.2025.1563537","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1563537"},"PeriodicalIF":3.8,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11926804/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691542","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 evaluation of novel triazole derivatives as potential anti-gout inhibitors: a comprehensive molecular modeling study.","authors":"Mohammed Er-Rajy, Mohamed El Fadili, Sara Zarougui, Somdutt Mujwar, Mourad Aloui, Mohammed Zerrouk, Belkheir Hammouti, Larbi Rhazi, Rachid Sabbahi, Mohammed M Alanazi, Khalil Azzaoui, Rachid Salghi, Menana Elhallaoui","doi":"10.3389/fchem.2025.1518777","DOIUrl":"10.3389/fchem.2025.1518777","url":null,"abstract":"<p><strong>Introduction: </strong>Gout is the most common inflammatory arthritis, characterized by hyperuricemia, tophus formation, joint disease, and kidney stones. Uric acid, the final byproduct of purine catabolism, is eliminated via the kidneys and digestive system. Xanthine oxidase (XO) catalyzes the conversion of hypoxanthine and xanthine into uric acid, making XO inhibitors crucial for treating hyperuricemia and gout. Currently, three XO inhibitors are clinically used, showing significant efficacy. A molecular modeling study on triazole derivatives aims to identify novel XO inhibitors using 3D-QSAR, molecular docking, MD simulations, ADMET analysis, and DFT calculations. These computational approaches facilitate drug discovery while reducing research costs.</p><p><strong>Methods: </strong>Our work focuses on a series of synthesized anti-xanthine oxidase inhibitors, aiming to develop new inhibitors. A computational study was carried out to identify the xanthine oxidase inhibitory structural features of a series of triazole inhibitors using computational method.</p><p><strong>Results: </strong>A model based on CoMFA and CoMSIA/SEA has been built to predict new triazole derivatives.</p><p><strong>Discussion: </strong>The optimal model established from CoMFA and CoMSIA/SEA was successfully evaluated for its predictive capability. Visualization of the contour maps of both models showed that modifying the substituents plays a key role in enhancing the biological activity of anti-gout inhibitors. Molecular docking results for complexes N°8-3NVY and N°22-3NVY showed scores of -7.22 kcal/mol and -8.36 kcal/mol, respectively, indicating substantial affinity for the enzyme. Complex N°8-3NVY forms two hydrogen bonds with SER 69 and ASN 71, three alkyl bonds with ALA 70, LEU 74, and ALA 75, and one Pi-Pi T-shaped bond with PHE 68. Complex N°22-3NVY forms three hydrogen bonds with HIS 99, ARG 29, and ILE 91, and one halogen bond with LEU 128 at 3.60 Å. A MD study revealed that the N°22-3NVY complex remained highly stable throughout the simulation. Therefore, we proposed six new molecules, their anti-gout inhibitory activities were predicted using two models, and they were evaluated for Lipinski's rule, and ADMET properties. The results show that both Pred 4 and Pred 5 have better pharmacokinetic properties than the height potent molecule in the studied series, making these two compounds valuable candidates for new anti-gout drugs. Subsequently, using DFT study to evaluate the chemical reactivity properties of these two proposed compounds, the energy gap results revealed that both molecules exhibit moderate chemical stability and reactivity.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1518777"},"PeriodicalIF":3.8,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11922854/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143669523","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>Moringa oleifera</i> mediated green synthesis of gold nanoparticles and their anti-cancer activity against A549 cell line of lung cancer through ROS/ mitochondrial damage.","authors":"Dawei Qian, Dongsheng Zha, Yuanyao Sang, Jiangquan Tao, Youshuang Cheng","doi":"10.3389/fchem.2025.1521089","DOIUrl":"10.3389/fchem.2025.1521089","url":null,"abstract":"<p><strong>Introduction: </strong>Gold nanoparticles (Au-NPs) hold significant promise in lung cancer treatment due to their unique physicochemical properties, enabling targeted drug delivery, enhanced therapeutic efficacy, and reduced systemic toxicity. This study is aimed to produce the Au-NPs utilising <i>Moringa oleifera</i> and evaluate their effectiveness in the treatment of lung cancer, with a specific focus on A549 cell lines.</p><p><strong>Methods: </strong>The synthesis of Au-NPs was carried out by combining 10 mL of an aqueous extract of M. oleifera with 190 mL of a 1 mM HAuCl4 solution. The synthesized Au-NPs were characterised using several microscopic and spectroscopic techniques. The evaluation of the median inhibitory concentration (IC50) of Au-NPs and its impact on apoptosis was conducted through the measurement of caspase activation and the formation of reactive oxygen species (ROS). Anti-cancer characteristics was conducted by employing DAPI staining. Furthermore, the influence on ROS production and mitochondrial membrane potential was evaluated at the IC50 concentration using fluorescence microscopy, employing DCFH-DA and Rhodamine 123 dyes.</p><p><strong>Results: </strong>The synthesis of Au-NPs was confirmed through UV-Vis spectroscopy, with an absorbance peak at 540 nm. FTIR, TEM results showed that the <i>M. oleifera</i> mediated Au-NPs had a spherical morphology, and their mean size was approximately 30 nm, as determined by DLS. The Au-NPs exhibited an IC50 value of 50 μg/mL against the A549 lung cancer cells. The DAPI staining results revealed that both concentrations of AuNP, 25 μg/mL and 50 μg/mL, exhibited noteworthy anti-cancer and apoptotic properties.</p><p><strong>Discussion: </strong>The study demonstrates that M. oleifera-mediated Au-NPs exhibit significant cytotoxic and apoptotic effects on A549 lung cancer cells, with an IC50 value of 50 μg/mL. Both tested concentrations showed substantial anti-cancer properties, as confirmed by DAPI staining. The unique focus on lung cancer, specifically the A549 cell line, sets this study apart from others that address a broader spectrum of cancer types. These findings suggest that M. oleifera-mediated Au-NPs hold promise for clinical applications in lung cancer treatment, providing a potential new therapeutic application.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1521089"},"PeriodicalIF":3.8,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11920177/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143663056","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":"Raman and IR spectroscopy as a promising approach to rapid and non-destructive monitoring of chlorogenic acid in protein matrices.","authors":"Yulia Vershinina, Elizaveta Reshetnikova, Shixian Lv, Irina Kolesnik, Olesya Kapitanova, Irina Veselova","doi":"10.3389/fchem.2025.1543663","DOIUrl":"10.3389/fchem.2025.1543663","url":null,"abstract":"<p><p>Sunflower meal, a by-product of the oil extraction process from sunflower seeds, has high-quality protein content. Its low production cost, near-absence of toxic substances, and close to \"ideal\" amino acid composition give it several advantages over other plant-based protein sources. However, at the moment, the use of sunflower meal in the food industry is still limited. This is due to the high content of phenolic compounds (1-4 wt%), particularly chlorogenic acid. The oxidation products of these compounds easily bind to protein molecules, giving the final product a dark green color and bitter taste. Currently, there is a high demand for the development of methods for rapid monitoring of the content of phenolic compounds in plant materials without special processing at various stages of the technological process without preliminary sample preparation for analysis. In this study, we used non-destructive vibrational spectroscopy techniques-Raman and FTIR-to monitor the content of chlorogenic acid in the raw material. As a result, an approach for the determination of chlorogenic acid in sunflower meal using IR spectroscopy with limit of detection (LOD) 0.75 wt% has been proposed. Its content in the studied sample of sunflower meal was 5.6 wt%, which was confirmed by UV-spectroscopy and HPLC. The paper demonstrates the principal possibility of analyzing protein isolates using Raman scattering, with the LOD for chlorogenic acid content at 1 wt%.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1543663"},"PeriodicalIF":3.8,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11920573/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143663097","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":"CO₂ reforming of benzene into syngas by plasma-enhanced packed-bed dielectric barrier discharge with different packing materials.","authors":"Yafeng Guo, Shiye Cheng, Yu Du, Na Lu, Chao Li, Hanchun Bao, Xiao Zhu, Shi-Ya Tang","doi":"10.3389/fchem.2025.1532478","DOIUrl":"10.3389/fchem.2025.1532478","url":null,"abstract":"<p><p>Tar reforming has gained widely attention in the field of biomass gasification. Dielectric barrier discharge (DBD) presents a promising technology for the conversion of biomass gasification tar under ambient conditions. In this study, plasma-enhanced dual DBD (ED-DBD) combined with packing materials such as glass (SiO₂) beads and SiC blocks was utilized to examine the CO₂ reforming of benzene, serving as a tar analogue, into syngas. (Introduction) First, the discharge characteristics and performance metrics for benzene and CO₂ conversion (Method 1) were evaluated and compared between the conventional dual dielectric barrier discharge (D-DBD) system and the ED-DBD reactor, which was augmented with SiO₂ beads and SiC blocks. The findings indicated that the ED-DBD reactor incorporating SiC blocks demonstrated superior performance, achieving a benzene conversion of 51.0%, a CO₂ conversion of 75.0%, and an energy efficiency for CO₂ conversion of 73.9%. The results satisfy the minimum requirements for CO₂ conversion and energy efficiency required for industrial application (Results and Discussion 1). Secondly, analysis via X-ray Photoelectron Spectroscopy (XPS) (Method 2) revealed that a minor proportion of carbon elements originating from the SiC blocks within the plasma region were involved in the reaction process (Results and Discussion 2). Moreover, an elevated initial concentration of CO₂ in the benzene system enhanced the degradation of benzene, whereas the introduction of benzene into the CO₂ system promoted the conversion of CO₂. Emission spectroscopy (Method 3) corroborated the presence of active hydroxyl radical (·OH) particle during the discharge process. It suggests that the SiC-packed ED-DBD reactor more efficiently generates active OH particles during the discharge compared to the SiO₂-packed ED-DBD reactor (Results and Discussion 3). This study not only offers an effective method for converting tar analogues into syngas under mild conditions but also presents an alternative approach for CO₂ utilization within a carbon-neutral strategy.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1532478"},"PeriodicalIF":3.8,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11921044/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143663059","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: Supramolecular cancer therapeutic biomaterials-volume II.","authors":"Yong Yao, Guifei Huo, Ruibo Zhao","doi":"10.3389/fchem.2025.1574334","DOIUrl":"10.3389/fchem.2025.1574334","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1574334"},"PeriodicalIF":3.8,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11920156/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143663061","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: Beyond borders: exploring diverse roles of heterocyclic compounds in combatting infections and cancer.","authors":"Afzal B Shaik, Richie R Bhandare, M Mukhlesur Rahman, Kamal Dua","doi":"10.3389/fchem.2025.1578852","DOIUrl":"10.3389/fchem.2025.1578852","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1578852"},"PeriodicalIF":3.8,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11913830/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143656680","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":"Exploring tannin structures to enhance enzymatic polymerization.","authors":"Romina Romero, Tihare Gonzalez, Bruno F Urbano, Cristina Segura, Alessandro Pellis, Myleidi Vera","doi":"10.3389/fchem.2025.1555202","DOIUrl":"10.3389/fchem.2025.1555202","url":null,"abstract":"<p><p>The enzymatic polymerization of biomass-derived polyphenols presents a sustainable approach to producing advanced materials. However, the structural diversity and incomplete characterization of tannins pose challenges to optimizing the process. This study investigates how tannin composition and the presence of phenolic and non-phenolic compounds in aqueous <i>Pinus radiata</i> bark extracts influence laccase-catalyzed polymerization and the resulting material's thermal and structural properties. The extracts were characterized using proximate and ultimate analysis, Py-GC/MS, FT-IR, TGA, and phenol content analysis before polymerization with <i>Myceliophthora thermophila</i> laccase (MtL). Structural and thermal analysis of the polymers revealed significant transformations driven by enzymatic oxidation. Tannin extracts rich in resorcinol and low in carbohydrates and less polar compounds produced highly cross-linked polymers with exceptional thermal stability, retaining 86% residual mass at 550°C. These findings demonstrate that tannin composition plays a key role in polymerization efficiency and material performance. The resulting thermally stable polymers offer potential applications in flame retardancy and sustainable material development, providing a promising pathway for biomass valorization.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1555202"},"PeriodicalIF":3.8,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11913842/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143656682","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}