Frontiers in Chemistry最新文献

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Design, synthesis, in silico studies and antiproliferative evaluation of some novel hybrids of pyrimidine-morpholine.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-28 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1537261
Elaheh Ataollahi, Leila Emami, Al-Anood Mohammad Al-Dies, Fateme Zare, Alireza Poustforoosh, Mina Emami, Fateme Saadat, Fateme Motamen, Zahra Rezaei, Soghra Khabnadideh
{"title":"Design, synthesis, <i>in silico</i> studies and antiproliferative evaluation of some novel hybrids of pyrimidine-morpholine.","authors":"Elaheh Ataollahi, Leila Emami, Al-Anood Mohammad Al-Dies, Fateme Zare, Alireza Poustforoosh, Mina Emami, Fateme Saadat, Fateme Motamen, Zahra Rezaei, Soghra Khabnadideh","doi":"10.3389/fchem.2025.1537261","DOIUrl":"https://doi.org/10.3389/fchem.2025.1537261","url":null,"abstract":"<p><strong>Introduction: </strong>Cancer is a complex group of diseases characterized by the uncontrolled growth and spread of abnormal cells in the body. These cells can invade nearby tissues and organs, or they may metastasize to other parts of the body through the bloodstream or lymphatic system.</p><p><strong>Methods: </strong>In this study, eight novel pyrimidine-morpholine hybrides (<b>2a-2h</b>) were designed and synthesized based on molecular hybridization approach to identify potent cytotoxic agents. Spectroscopic methods, including infrared spectroscopy (IR), proton and carbon nuclear magnetic resonance (<sup>1</sup>HNMR & <sup>13</sup>CNMR), and mass spectrometry, were employed to confirm the structures of the compounds. The cytotoxic effects of the derivatives were evaluated against cancerous cell lines, including MCF-7 and SW480, using the MTT assay.</p><p><strong>Results and discussion: </strong>It was demonstrated that all derivatives had appropriate cytotoxic potential with IC<sub>50</sub> in range of 5.12-117.04 μM. Compound <b>2g</b> was identified as the most potent compound, exhibiting IC<sub>50</sub> values of 5.10 ± 2.12 μM and 19.60 ± 1.13 μM toward the SW480 and MCF-7 cell lines, respectively. Cell cycle analysis showed that <b>2g</b> could induces phase arrest in MCF-7 breast cancer cells. The apoptosis assay demonstrated the induction of apoptosis in the SW480 cell line. The biological activity of the compounds was confirmed by the docking studies. DFT analysis for compounds <b>2g</b> and <b>2h</b> was conducted at the B3LYP/6-31+G** level of theory. It was concluded that <b>2g</b> is both thermodynamically and kinetically more stable than <b>2h</b>. Moreover, the interpretation of ADME (Absorption, Distribution, Metabolism, and Excretion) indicates that these new series of compounds possess acceptable prognostic physicochemical properties. These synthesized compounds may serve as promising candidates for further investigation as anticancer agents.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1537261"},"PeriodicalIF":3.8,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11906455/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143647825","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}
引用次数: 0
Vertical porous 1D/2D hybrid aerogels with highly matched charge storage performance for aqueous asymmetric supercapacitors.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-28 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1550285
Panji Xu, Kunhua Quan, Xiyuan Wei, Yubing Li, Shuaikai Xu
{"title":"Vertical porous 1D/2D hybrid aerogels with highly matched charge storage performance for aqueous asymmetric supercapacitors.","authors":"Panji Xu, Kunhua Quan, Xiyuan Wei, Yubing Li, Shuaikai Xu","doi":"10.3389/fchem.2025.1550285","DOIUrl":"https://doi.org/10.3389/fchem.2025.1550285","url":null,"abstract":"<p><p>Asymmetric supercapacitors (ASCs) have attracted widespread attention because of their high energy density, high power density and long cycle life. Nevertheless, the development of anodes and cathodes with complementary potential windows and synchronous energy storage kinetics represents a pivotal challenge. We propose to construct nanochannel-coupled vertically porous CNF/Ti<sub>3</sub>CNT<sub>x</sub> and CNF/rGO hybrid aerogel electrodes via a unidirectional bottom-up cryoprocess. The vertically porous structure will greatly shorten the ion diffusion path and enhance the charge/ion transfer/diffusion kinetics, and the inserted cellulose nanofibers (CNFs) will impede the re-stacking of the nanosheets and enlarge the interlayer nano-channels, thus improving the accessibility of electrolyte ions. Ultimately, all-solid-state ASCs assembled based on nanochannel-coupled vertically porous MXene and graphene aerogel can achieve an excellent energy density of 20.8 Wh kg<sup>-1</sup> at 2.3 kW·kg<sup>-1</sup>, a high multiplicity performance, and retains 95.1% of energy density after 10,000 cycles. This work not only demonstrates the great superiority of nanochannel-coupled vertically porous hybrid aerogels, but also provides an effective strategy for designing asymmetric supercapacitor electrodes with matched structural and electrochemical properties.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1550285"},"PeriodicalIF":3.8,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11906718/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143647830","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}
引用次数: 0
Editorial: Bioactive containing plant based waste for (nano)-biocomposites: applications in biomedicine, health, and bioremediation.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-28 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1575200
Ram Prasad, Juan Bueno
{"title":"Editorial: Bioactive containing plant based waste for (nano)-biocomposites: applications in biomedicine, health, and bioremediation.","authors":"Ram Prasad, Juan Bueno","doi":"10.3389/fchem.2025.1575200","DOIUrl":"https://doi.org/10.3389/fchem.2025.1575200","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1575200"},"PeriodicalIF":3.8,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11906666/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143647827","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}
引用次数: 0
Mechanism of salidroside promoting testosterone secretion induced by H2O2 in TM3 Leydig cells based on metabolomics and network pharmacology.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-27 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1544876
Zixu Wang, Yunlong Xu, Huazhong Xiong
{"title":"Mechanism of salidroside promoting testosterone secretion induced by H<sub>2</sub>O<sub>2</sub> in TM3 Leydig cells based on metabolomics and network pharmacology.","authors":"Zixu Wang, Yunlong Xu, Huazhong Xiong","doi":"10.3389/fchem.2025.1544876","DOIUrl":"10.3389/fchem.2025.1544876","url":null,"abstract":"<p><p>Oxidative stress-induced damage is a significant contributor to the impairment of Leydig cells in the testes, potentially diminishing the secretion of testosterone and other androgens, thereby resulting in testosterone deficiency. Salidroside, the principal bioactive constituent derived from Rhodiola, exhibits potent antioxidant properties. This study aims to investigate the underlying mechanisms by which salidroside enhances testosterone secretion. The study investigated the oxidative damage in TM3 cells induced by H<sub>2</sub>O<sub>2</sub> and demonstrated that salidroside significantly decreased the levels of ROS and MDA, while increasing the levels of testosterone, SOD, GSH. These changes effectively ameliorated oxidative stress, mitigated oxidative damage, protected TM3 cells, and enhanced testosterone secretion. Additionally, UPLC-QE-Orbitrap-MS was employed to analyze the metabolomics of TM3 cells, identifying 28 distinct metabolites and associated metabolic pathways. Key metabolic pathways identified include Arginine biosynthesis, Alanine, aspartate and glutamate metabolism, Citrate cycle (TCA cycle), Phenylalanine metabolism, Pyruvate metabolism. Utilizing network pharmacology, the core targets of salidroside in enhancing testosterone secretion were further investigated, revealing the involvement of AMACR, CYP3A4, ECHS1, HSD17B10, MPO, and TYR. This discovery was confirmed by dry-wet analysis. To sum up, salidroside can reduce the level of oxidative stress and promote testosterone secretion through multiple metabolic pathways and multiple targets. In a word, salidroside may provide a new strategy for preventing and treating testosterone deficiency.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1544876"},"PeriodicalIF":3.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11904911/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143624148","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}
引用次数: 0
Spin polarized nodal loop state at Fermi level in the monolayer PrClS.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-27 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1544147
Yilin Zhao, Li Zhang, Yufeng Gao
{"title":"Spin polarized nodal loop state at Fermi level in the monolayer PrClS.","authors":"Yilin Zhao, Li Zhang, Yufeng Gao","doi":"10.3389/fchem.2025.1544147","DOIUrl":"10.3389/fchem.2025.1544147","url":null,"abstract":"<p><p>The investigation of two-dimensional materials exhibiting half-metallicity and topological features has become a rapidly growing area of interest, driven by their immense potential in nanoscale spintronics and quantum electronics. In this work, we present a comprehensive study of a two-dimensional PrClS monolayer, revealing its remarkable electronic and mechanical properties. Under its ferromagnetic ground state, the PrClS monolayer is shown to exhibit half-metallic behavior with 100% spin polarization originating from the spin-up channel. Of particular significance is the discovery of a spin-polarized nodal loop state within the spin-up channel. This intriguing state, characterized by a critical dispersion type and its precise alignment with the Fermi energy level, represents a feature of great interest for practical spintronic and quantum applications. Further analysis of the nodal loop topology using a maximally localized Wannier tight-binding Hamiltonian unveils distinct topological edge states. These edge states emerge clearly from the nodal loop crossings and are entirely separated from the bulk band projection, ensuring enhanced experimental detectability. The robustness of this nodal loop state is also explored under the influence of spin-orbit coupling, where it transforms into a unique hourglass-shaped dispersion while maintaining its fundamental characteristics, further solidifying its potential for experimental validation and deployment in advanced technologies. To assess the applicability of the PrClS monolayer in practical settings, its mechanical properties were thoroughly evaluated and several key parameters were analyzed, revealing significant mechanical anisotropy. This anisotropy underscores the importance of directional dependence in structural engineering and highlights the material's versatility for applications requiring tailored mechanical responses. Overall, the PrClS monolayer represents an exceptional platform for investigating spin-polarized topological phenomena and demonstrates strong potential as an exciting material for both fundamental research and technological innovation.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1544147"},"PeriodicalIF":3.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11903714/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143624152","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}
引用次数: 0
Insight into loading, release, and anticancer activities of the methanol hybridized glauconite nano-sheets as a potential carrier of cisplatin: equilibrium and release kinetics.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-27 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1523664
Haifa E Alfassam, Nourhan Nasser, Sarah I Othman, Hanan M Alharbi, Noof A Alenazi, Hassan A Rudyani, Ahmed A Allam, Wail Al Zoubi, Mostafa R Abukhadra
{"title":"Insight into loading, release, and anticancer activities of the methanol hybridized glauconite nano-sheets as a potential carrier of cisplatin: equilibrium and release kinetics.","authors":"Haifa E Alfassam, Nourhan Nasser, Sarah I Othman, Hanan M Alharbi, Noof A Alenazi, Hassan A Rudyani, Ahmed A Allam, Wail Al Zoubi, Mostafa R Abukhadra","doi":"10.3389/fchem.2025.1523664","DOIUrl":"10.3389/fchem.2025.1523664","url":null,"abstract":"<p><p>Advanced silicate nano-sheets as exfoliated and separated layers were developed from natural glauconite and hybridized with methanol, producing a methoxy exfoliated structure (Mth/EXGL). The structure was assessed as an enhanced carrier of the cisplatin drug (CSPN) with significant loading, release, and cytotoxicity properties. The methoxy form of exfoliated glauconite showed better loading properties (327.7 mg/g) than the exfoliated sample (202.4 mg/g) as well as the raw sample (119.3 mg/g). This enhancement was assigned to the incorporated active loading centers after the methanol hybridization step, which is in agreement with the steric studies and determined active site density (Nm = 45.5 mg/g (Mth/EXGL), 38.4 mg/g (EXGL), and 26.3 mg/g (glauconite). Moreover, each site across the interface of Mth/EXGL has the capacity to be loaded with 8 CSPN molecules, donating multi-molecular mechanisms and their loading in vertical orientation. The CSPN loading energy value (<8 kJ/mol) into Mth/EXGL reflected the dominant impact of the physical mechanisms, including electrostatic attractions and hydrogen bonding. The recognized release profile demonstrates continuous and controlled behavior that can extend up to 110 h at pH 7.4 and 170 h at pH 5.5. This releasing behavior is regulated by two main processes (diffusion and erosion) based on the release kinetic findings. Also, Mth/EXGL as a carrier of CSPN induces its cytotoxic effect on human cervical epithelial tumors (HeLa) (0.65% cell viability) as compared to the free form of CSPN (6.6% cell viability). The Mth/EXGL is recommended as a delivery system for CSPN considering its determined loading, release, and cytotoxicity properties.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1523664"},"PeriodicalIF":3.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11903436/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143624145","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}
引用次数: 0
Designing novel cabozantinib analogues as p-glycoprotein inhibitors to target cancer cell resistance using molecular docking study, ADMET screening, bioisosteric approach, and molecular dynamics simulations.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-27 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1543075
Gajendra Singh Thakur, Ajay Kumar Gupta, Dipti Pal, Yogesh Vaishnav, Neeraj Kumar, Sivakumar Annadurai, Sanmati Kumar Jain
{"title":"Designing novel cabozantinib analogues as p-glycoprotein inhibitors to target cancer cell resistance using molecular docking study, ADMET screening, bioisosteric approach, and molecular dynamics simulations.","authors":"Gajendra Singh Thakur, Ajay Kumar Gupta, Dipti Pal, Yogesh Vaishnav, Neeraj Kumar, Sivakumar Annadurai, Sanmati Kumar Jain","doi":"10.3389/fchem.2025.1543075","DOIUrl":"10.3389/fchem.2025.1543075","url":null,"abstract":"<p><strong>Introduction: </strong>One of the foremost contributors to mortality worldwide is cancer. Chemotherapy remains the principal strategy for cancer treatment. A significant factor leading to the failure of cancer chemotherapy is the phenomenon of multidrug resistance (MDR) in cancer cells. The primary instigator of MDR is the over expression of P-glycoprotein (P-gp), a protein that imparts resistance and facilitates the ATP-dependent efflux of various anticancer agents. Numerous efforts have been made to inhibit P-gp function with the aim of restoring the effectiveness of chemotherapy due to its broad specificity. The main objective has been to create compounds that either serve as direct P-gp inhibitors or interact with cancer therapies to modulate transport. Despite substantial in vitro achievements, there are currently no approved drugs available that can effectively \"block\" P-gp mediated resistance. Cabozantinib (CBZ), a multi-kinase inhibitor, is utilized in the treatment of various carcinomas. CBZ has been shown to inhibit P-gp efflux activity, thereby reversing P-gp mediated MDR. Consequently, P-gp has emerged as a critical target for research in anti-cancer therapies.</p><p><strong>Methods: </strong>The purpose of this study was to computationally identify new andsafer analogues of CBZ using bioisosteric approach, focusing on improved pharmacokinetic properties andreduced toxicity. The physicochemical, medicinal, and ADMET profiles of generated analogues were computed using the ADMETLab 3.0 server. We also predicted the drug likeness (DL) and drug score (DS) of analogues. The molecular docking studies of screened analogues against the protein (PDB ID: 3G5U) were conducted using AutoDock Vina flowing by BIOVIA Discovery Studio for visualizing interactions.Molecular dynamics (MD) simulation of docked ligands was done using Schrödinger suite.</p><p><strong>Results and discussion: </strong>The docking scores for the ligands CBZ01, CBZ06, CBZ11, CBZ13, CBZ25, CBZ34, and CBZ38 ranged from -8.0 to -6.4 kcal/mol against the protein (PDB ID: 3G5U). A molecular dynamics (MD) simulation of CBZ01, CBZ13, and CBZ38 was conducted using the Schrödinger suite, revealing that these complexesmaintained stability throughout the 100 ns simulation.</p><p><strong>Conclusion: </strong>An integrated computational approach combining bioisosteric approach, molecular docking, drug likeness calculations, and MD simulations highlights the promise of ligands CBZ01 and CBZ13 as candidates for the development of potential anticancer agents for the treatment of various cancers.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1543075"},"PeriodicalIF":3.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11903459/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143624140","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}
引用次数: 0
Non-destructive analysis of Ganoderma lucidum composition using hyperspectral imaging and machine learning.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-26 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1534216
Jing Ran, Hui Xu, Zhilong Wang, Wei Zhang, Xueyuan Bai
{"title":"Non-destructive analysis of <i>Ganoderma lucidum</i> composition using hyperspectral imaging and machine learning.","authors":"Jing Ran, Hui Xu, Zhilong Wang, Wei Zhang, Xueyuan Bai","doi":"10.3389/fchem.2025.1534216","DOIUrl":"10.3389/fchem.2025.1534216","url":null,"abstract":"<p><strong>Background: </strong><i>Ganoderma lucidum</i> is a widely used medicinal fungus whose quality is influenced by various factors, making traditional chemical detection methods complex and economically challenging. This study addresses the need for fast, noninvasive testing methods by combining hyperspectral imaging with machine learning to predict polysaccharide and ergosterol levels in <i>Ganoderma lucidum</i> cap and powder.</p><p><strong>Methods: </strong>Hyperspectral images in the visible near-infrared (385-1009 nm) and short-wave infrared (899-1695 nm) ranges were collected, with ergosterol measured by high-performance liquid chromatography and polysaccharides assessed via the phenol-sulfuric acid method. Three machine learning models-a feedforward neural network, an extreme learning machine, and a decision tree-were tested.</p><p><strong>Results: </strong>Notably, the extreme learning machine model, optimized by a genetic algorithm with voting, provided superior predictions, achieving <i>R</i> <sup>2</sup> values of 0.96 and 0.97 for polysaccharides and ergosterol, respectively.</p><p><strong>Conclusion: </strong>This integration of hyperspectral imaging and machine learning offers a novel, nondestructive approach to assessing <i>Ganoderma lucidum</i> quality.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1534216"},"PeriodicalIF":3.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11897918/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143614321","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}
引用次数: 0
Discovery of triazole derivatives for biofilm disruption, anti-inflammation and metal ion chelation.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-26 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1545259
Shuang Hong, Hongzhi Lu, Dawei Tian, Yue Chang, Qi Lu, Feng Gao
{"title":"Discovery of triazole derivatives for biofilm disruption, anti-inflammation and metal ion chelation.","authors":"Shuang Hong, Hongzhi Lu, Dawei Tian, Yue Chang, Qi Lu, Feng Gao","doi":"10.3389/fchem.2025.1545259","DOIUrl":"10.3389/fchem.2025.1545259","url":null,"abstract":"<p><p>In the face of bacterial hazards to human health and resistance to multiple antibiotics, there is an urgent need to develop new antibiotics to meet the challenge. In this paper, the triazolyl heterocyclic (3-amino-1,2,4-triazole, <b>D</b>) was synthesised efficiently using thiourea as starting material. Finally, the end product <b>E</b> was obtained by aldehyde-amine condensation reaction and the structures of all compounds were determined by spectral analysis. <i>In vitro</i> antimicrobial activity showed that <b>E10</b> had a MIC of 32 μg/mL against the tested <i>Escherichia coli</i> and 16 μg/mL against the tested <i>Staphylococcus aureus</i> strain. Meanwhile, <b>E10</b> has a good anti-biofilm effect. Antibacterial mechanism studies have shown that <b>E10</b> has a good membrane targeting ability, thus disrupting cell membranes, leading to leakage of intracellular proteins and DNA and accelerating bacterial death. In terms of anti-inflammation, <b>E10</b> dose-dependently inhibits the levels of inflammatory factors NO and IL-6, which deserves further exploration in the treatment of asthma. The study of metal ion removal capacity showed that the synthesised triazole derivatives have high capacity to remove heavy metals Pb<sup>2+</sup>, Cd<sup>2+</sup>, Ca<sup>2+</sup>, Mg<sup>2+</sup>, Fe<sup>3+</sup>,Cr<sup>3+</sup> and Al<sup>3+</sup> in the range of 42%-60%.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1545259"},"PeriodicalIF":3.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11897050/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143614312","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}
引用次数: 0
Coupling of chromatography with surface-enhanced Raman spectroscopy: trends and prospects.
IF 3.8 3区 化学
Frontiers in Chemistry Pub Date : 2025-02-26 eCollection Date: 2025-01-01 DOI: 10.3389/fchem.2025.1548364
Ekaterina V Dmitrieva, Olesya O Kapitanova, Shixian Lv, Oleg G Sinyashin, Irina A Veselova
{"title":"Coupling of chromatography with surface-enhanced Raman spectroscopy: trends and prospects.","authors":"Ekaterina V Dmitrieva, Olesya O Kapitanova, Shixian Lv, Oleg G Sinyashin, Irina A Veselova","doi":"10.3389/fchem.2025.1548364","DOIUrl":"10.3389/fchem.2025.1548364","url":null,"abstract":"<p><p>Surface-enhanced Raman spectroscopy is a powerful analytical technique for the determination of analytes with the advantages of sensitivity, portability, and simplicity, able to provide structural information for the identification of compounds. However, when it comes to the analysis of complex samples, matrix components may interfere with the analyte quantification. To overcome this shortcoming, a number of approaches have been proposed, such as extraction techniques. Among them, the coupling of chromatography with surface-enhanced Raman spectroscopy seems to be promising. It allows combining the advantages of both techniques, i.e., high efficiency of chromatographic separation and high sensitivity of surface enhanced Raman scattering detection, and makes possible simultaneous quantification of multiple analytes. The review summarizes the latest achievements in the combination of these techniques.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1548364"},"PeriodicalIF":3.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11897286/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143614311","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}
引用次数: 0
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