Frontiers in Chemistry最新文献

{"title":"Natural product Erianin: mitigating FOLFOX toxicity and enhancing against colorectal cancer.","authors":"Fuqin Yang, Zeqiao Li, Haishan Zhang, Mingxiao Zhang, Zhenwei He, Xiaoqin Zheng, Yingru Zhu, Pei Long, Ruirui Ding, Zhengbin Lin, Lijuan Deng","doi":"10.3389/fchem.2025.1650197","DOIUrl":"10.3389/fchem.2025.1650197","url":null,"abstract":"<p><strong>Introduction: </strong>Colorectal cancer (CRC) is a prevalent malignant tumor of the digestive tract. The FOLFOX regimen (oxaliplatin + calcium folinate + 5-fluorouracil) serves as the primary treatment for advanced CRC clinically, yet its application is significantly limited by substantial toxic side effects. Erianin, a natural compound from Chinese medicine <i>Dendrobium chrysotoxum</i> Lindl, demonstrates significant potential in both tumor growth inhibition and chemotherapy toxicity reduction. This study aims to investigate the potential of Erianin in reducing the toxicity of the FOLFOX regimen while enhancing its antitumor efficacy.</p><p><strong>Methods: </strong>This study integrated network toxicology and molecular docking to predict the potential targets of Erianin in alleviating FOLFOX-induced side effects. Using an orthotopic MC38 CRC transplantation model, we conducted a comprehensive evaluation of the effects of Erianin in mitigating FOLFOX-induced changes in body weight changes, hematological parameters, and histopathology of major organs (heart, liver, spleen, kidneys, and intestines). IHC analysis elucidated alterations in intestinal barrier proteins, AKT1/mTOR pathway, and tumor proliferation and apoptosis biomarkers. Tumor progression was dynamically monitored by <i>in vivo</i> imaging.</p><p><strong>Results: </strong>The results showed that Erianin improved weight loss, pathological changes in organs, and reduction in peripheral blood cell counts (WBC, RBC, HGB, PLT, HCT) caused by FOLFOX in mice. Erianin reversed the inhibition of intestinal tight junction proteins (e.g. ZO-1, Occludin, Claudin-5) and AKT1/mTOR pathway caused by FOLFOX. In addition, the tumor size was significantly reduced in the combination group, and the expression of the apoptosis marker Cleaved Caspase-3 was up-regulated, and the proliferation markers Ki67/PCNA were down-regulated.</p><p><strong>Discussion: </strong>Erianin can enhance the anti-CRC effect of FOLFOX, and mitigates FOLFOX-induced toxicity by activating the AKT1/mTOR pathway.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1650197"},"PeriodicalIF":4.2,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12411860/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145014363","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 of a scandium-integrated MOF hybrid hydrogel for simultaneous dye adsorption and antibacterial activity.","authors":"Abdullah A Aseeri, Fadhil Faez Sead, Farag M A Altalbawy, Nawfal Yousif, Ahmed Salih Sahib, Zahraa Saad Abdulali, Mariem Alwan, Mahmood Jawad, Hiba Mushtaq, Aseel Smerat","doi":"10.3389/fchem.2025.1659983","DOIUrl":"10.3389/fchem.2025.1659983","url":null,"abstract":"<p><p>In this study, a novel hybrid hydrogel incorporating a scandium-based metal-organic framework (scandium-integrated MOF-hydrogel hybrid) was developed using scandium nitrate, 1,4-naphthalenedicarboxylic acid, oxidized pectin, and chitosan. The synthesized scandium-integrated MOF-hydrogel hybrid demonstrated remarkable dual-functionality in both the adsorption of hazardous dye pollutants and the inhibition of pathogenic bacteria commonly found in wastewater. Characterization of the scandium-integrated MOF-hydrogel hybrid was performed using FT-IR, XRD, SEM, EDAX, CHNO elemental, BET, and XPS analyses, confirming successful MOF integration and a porous, reactive surface. Adsorption experiments showed significant uptake capacities for phenol red and Congo red dyes, reaching up to 40 mg and 60 mg under different physicochemical conditions, including variations in pH, temperature, adsorbent dose, and contact time. Antibacterial assessments against four wastewater-derived bacterial strains revealed minimum inhibitory concentrations ranging from 2 to 64 μg/mL and minimum bactericidal concentrations from 4 to 128 μg/mL. These results highlight the hydrogel's potential as a multifunctional material for simultaneous pollutant removal and microbial decontamination in wastewater treatment systems.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1659983"},"PeriodicalIF":4.2,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12411450/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145014330","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":"Are basic and lipophilic chain groups highly required in leishmanicidal quinolines to favor the phagolysosome accumulation?","authors":"Angel H Romero","doi":"10.3389/fchem.2025.1655979","DOIUrl":"10.3389/fchem.2025.1655979","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1655979"},"PeriodicalIF":4.2,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12408622/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145014365","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":"A fluorescent probe with a vanillin-pyridine-imidazole core structure for carboxylesterase detection in macrophage polarization during bone homeostasis.","authors":"Hailong Xia, Xianghe Wang, Weichun Huang, Xindong Jiang, Xionggao Han, Chaoyue Wang","doi":"10.3389/fchem.2025.1666238","DOIUrl":"10.3389/fchem.2025.1666238","url":null,"abstract":"<p><p>In this work, a fluorescent probe, VanPI-CarE, with a vanillin-pyridine-imidazole core structure was developed for carboxylesterase (CarE) detection in macrophage polarization during bone homeostasis. The probe responded to CarE with a distinct fluorescence reporting signal at 490 nm upon excitation at 355 nm. Tests in solution showed the advantages of VanPI-CarE, including high sensitivity, excellent stability under various working conditions, high selectivity, and low cytotoxicity. Further confocal imaging indicated that VanPI-CarE enabled visualization of CarE level in living macrophages. The probe further revealed macrophage polarization in bone homeostasis under both induction and inhibition conditions via CarE detection. These findings provide meaningful insights for inflammation-related research.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1666238"},"PeriodicalIF":4.2,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12408636/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145014318","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":"Unveiling the material basis of Shenshuaifu granule and its therapeutic mechanism in chronic renal failure: a combined approach of high-resolution mass spectrometry and <i>in silico</i> technology.","authors":"Qingbao Huang, Leyao Xian, Xiansheng Song, Dawei Zou, Junqi Chen, Yue Chen, Wanquan Li, Shangbin Zhang, Huichao Liang","doi":"10.3389/fchem.2025.1563598","DOIUrl":"10.3389/fchem.2025.1563598","url":null,"abstract":"<p><strong>Background: </strong>Chronic renal failure (CRF) is a serious state of continuous development in various chronic renal diseases. Shenshuaifu granule is a hospital preparation of Chinese medicines used at Shenzhen Traditional Chinese Medicine Hospital. It has been reported to delay the progression of renal failure in clinical application, but its material basis and mechanism are still unclear.</p><p><strong>Methods: </strong>In this study, ultra-high-performance liquid chromatography tandem with Q-Exactive-Orbitrap mass spectrometry (UHPLC-QE-MS), network pharmacology, and molecular docking technology were used to rapidly explore the plant metabolites of Shenshuaifu granule and its potential mechanisms.</p><p><strong>Results: </strong>The results showed that a total of 56 plant metabolites were identified from Shenshuaifu granule, including nine prototype metabolites detected in rat plasma after administration. Through network pharmacology and molecular docking technology, the plant metabolites that enter the blood from Shenshuaifu granule may regulate key targets, such as TNF, SRC, STAT3, EGFR, BCL2, JUN, and PTGS2. The GO and KEGG enrichment analysis showed that the AGE-RAGE signaling pathway, HIF-1 signaling pathway, and TNF signaling pathway were the main mechanisms of Shenshuaifu granule in the treatment of CRF.</p><p><strong>Conclusion: </strong>Flavonoids and quinones in Shenshuaifu granule are potential active plant metabolites, suggesting anti-inflammatory, anti-glomerulosclerosis, and fibrosis effects on CRF.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1563598"},"PeriodicalIF":4.2,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12405226/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145000109","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":"Blue energy recovery in the Atacama Desert using electrochemical ion pumping devices: a Chilean perspective on salinity gradient energy.","authors":"Felipe M Galleguillos Madrid, Sebastián Salazar-Avalos, Markus Bergendahl, Javier Quispe, Norman Toro, Galvarino Casanueva-Yáñez, Alvaro Soliz","doi":"10.3389/fchem.2025.1659479","DOIUrl":"10.3389/fchem.2025.1659479","url":null,"abstract":"<p><p>The growing global demand for clean and sustainable energy has intensified the development of novel technologies capable of harnessing naturally available resources. Among these, blue energy, referring to the power generated from the mixing of waters with different salinities, has emerged as a promising yet underutilized source. This perspective presents a comprehensive synthesis of recent advances in electrochemical harvesting systems, with a particular focus on Mixing Entropy Batteries (MEBs) as efficient, membrane-free devices for salinity gradient energy recovery. Unlike conventional approaches such as Reverse Electrodialysis (RED) and Pressure Retarded Osmosis (PRO), which depend heavily on ion-exchange membranes and complex infrastructure, MEBs offer simplified and scalable architecture suitable for harsh environments and industrial effluents. The use of LiCl-based electrolytes enables significant blue energy recovery, achieving energy densities of 38.2 mJ/cm² and power densities of 13.8 μW/cm², with excellent cycling stability. This system leverages the high solubility of LiCl (832 g/L) to create steep salinity gradients, utilizing LiFePO₄/FePO₄ as the cathode and Ag/AgCl as the anode, with no observable performance degradation over 100 cycles. This work analyzes alternative electrode materials, including Prussian Blue analogues (copper hexacyanoferrate CuHCF), MnO₂, BiOCl, and polypyrrole, and explores their integration with unconventional water sources such as industrial brines, hypersaline reject streams, and treated wastewater, particularly within the resource-constrained context of the Atacama Desert. This manuscript consolidates experimental data, device designs, and comparative performance metrics, providing a critical framework for advancing blue energy technologies. It also underscores their potential role in circular economy models and off-grid renewable energy systems solutions.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1659479"},"PeriodicalIF":4.2,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12402900/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144991792","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":"QSPR graph model to explore physicochemical properties of potential antiviral drugs of dengue disease through novel coloring-based topological indices.","authors":"C Yogalakshmi, B J Balamurugan","doi":"10.3389/fchem.2025.1599715","DOIUrl":"10.3389/fchem.2025.1599715","url":null,"abstract":"<p><p>Dengue is a viral disease transmitted to humans through mosquito bites. Researchers have investigated various drugs with potential antiviral properties against it. Some of the promising antiviral drugs include UV-4B (N-9-methoxynonyl-1-deoxynojirimycin), Lycorine, ST-148, 4-HPR, Silymarin, Baicalein, Quercetin, Naringenin, Nelfinavir, Ivermectin, Mosnodenvir (JNJ-1802), NITD-688, Metoclopramide, JNJ-A07 and Betulinic acid. The chemical structure of a drug can be modelled as an isomorphic molecular graph <math><mrow><mi>G</mi> <mrow><mo>(</mo> <mrow><mi>V</mi> <mo>,</mo> <mi>E</mi></mrow> <mo>)</mo></mrow> </mrow> </math> , considering the atoms as the vertex set <math><mrow><mi>V</mi> <mrow><mo>(</mo> <mrow><mi>G</mi></mrow> <mo>)</mo></mrow> </mrow> </math> and the bonds between the pair of atoms as the edge set <math><mrow><mi>E</mi> <mrow><mo>(</mo> <mrow><mi>G</mi></mrow> <mo>)</mo></mrow> </mrow> </math> . Graph coloring and topological indices serve as a powerful tools for analyzing the isomorphic molecular graph, providing the structural characterization and computational studies. In this article, two types of coloring-based topological indices <i>viz.</i>, chromatic topological indices and induced color-based topological indices, are introduced. Linear regression is employed in the QSPR(Quantitative Structure Property Relationship) analysis to examine the dengue antivirals through the computed topological indices of the aforementioned drugs. The results of the QSPR analysis reveal that the induced color-based indices provide better predictions of the physicochemical properties of dengue-treating drugs.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1599715"},"PeriodicalIF":4.2,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12400515/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144991844","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":"Organic functionality in responsive paramagnetic nanostructures.","authors":"Anna M Duncan, Connor M Ellis, James P Smith, Lillian Leutloff, Matthew J Langton, Jason J Davis","doi":"10.3389/fchem.2025.1605538","DOIUrl":"10.3389/fchem.2025.1605538","url":null,"abstract":"<p><p>Magnetic resonance imaging (MRI) has become an invaluable tool for diagnosing and monitoring a range of medical conditions, including cancer and cardiovascular disease, owing, in large part, to its high spatial resolution. Despite this, MRI suffers from an inherent low sensitivity, a drawback that can be mitigated through the use of exogenous contrast agents. Although molecular paramagnetic contrast agents are most commonly used, they suffer from significant limitations, including short circulation times, inadequate sensitivity, moderate (or no) tissue specificity, and potential toxicity. Recent advancements in nanomaterials research have paved the way for the development of paramagnetic nanoplatforms offering a promising alternative to these traditional chelates. Responsive contrast agents have gained attention due to their ability to generate local contrast in areas of particular interest, enabling the potential for disease-specific reporting where environmental factors including pH, ion concentration and biomolecule activity deviate from the norm. In addition to this, the generation of local or locality-specific contrast can help to overcome the intrinsic nonspecific nature of traditional contrast agents allowing for overall better treatment options. Purely organic nanoparticles, including those which are micellar, liposomal or dendritic and inorganic-polymer hybrids, can support step changes in MRI signal generation and its diagnostic potency by leveraging the specific and responsive characteristics of the organic components. This review seeks to illustrate how the integration of organic chemistry into magnetic nanostructures can enable responsive high-contrast generation.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1605538"},"PeriodicalIF":4.2,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12390991/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144948678","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: Magnetic nanoparticles for biomedical imaging and therapy applications.","authors":"Juan Gallo, Graeme J Stasiuk, Anna Roig, Juan Pellico","doi":"10.3389/fchem.2025.1670850","DOIUrl":"https://doi.org/10.3389/fchem.2025.1670850","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1670850"},"PeriodicalIF":4.2,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12391028/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144948497","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":"Critical assessment of copper-alginate hydrogel beads as recyclable and heterogeneous catalysts for aqueous azide‒alkyne cycloaddition.","authors":"Yanina Moglie, Eduardo Buxaderas, Agoney González Cabrera, David Díaz Díaz","doi":"10.3389/fchem.2025.1644592","DOIUrl":"https://doi.org/10.3389/fchem.2025.1644592","url":null,"abstract":"<p><strong>Introduction: </strong>We report a reproducible and sustainable catalytic system based on copper ion-crosslinked alginate hydrogels for the synthesis of 1,2,3-triazoles via aqueous 1,3-dipolar cycloaddition at room temperature. The catalyst, derived from a biodegradable matrix, is prepared through a simple, energy-efficient method and operates under mild, eco-friendly conditions.</p><p><strong>Methods: </strong>Copper(II)-alginate hydrogels were prepared by ionic crosslinking. Sodium ascorbate was identified as a key reducing agent to generate catalytically active Cu(I) species. Different catalyst morphologies (hydrogel, aerogel, xerogel) were evaluated. Structural and morphological characterization was performed using FT-IR, SEM, EDX, TGA, and AAS.</p><p><strong>Results: </strong>The Cu(II)-alginate hydrogel (Cu(II)-AHG) exhibited the highest performance, delivering >95% yields within 3 h using only 2 mol% catalyst. The system tolerated a broad range of terminal alkynes and operated under predominantly heterogeneous conditions. The catalyst was recyclable up to four times with minimal loss in activity.</p><p><strong>Discussion: </strong>The catalyst's efficiency is attributed to its mesoporous structure and chemical integrity. These findings support the potential of alginate-based materials as sustainable supports for transition metal catalysis and contribute to the advancement of green and circular synthetic methodologies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1644592"},"PeriodicalIF":4.2,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12380762/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144948815","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}