Mushrooms have become a prominent focus in alternative medicine and are now the subject of increasingly detailed scientific investigation. This study explores the isolation, purification, and characterization of β-D-glucan from Lycoperdon pyriforme, with particular emphasis on its wound-healing potential. The aim of this research is to isolate, purify, and characterize β-glucan compounds from mushrooms collected in their natural habitat. Gel permeation chromatography (GPC), Fourier transform infrared spectroscopy (FTIR), and nuclear magnetic resonance (NMR) spectroscopy are employed to characterize the compound. In vitro cytotoxicity is assessed using NIH 3T3 cells, and surface morphology is evaluated via electron microscopy. Spectroscopic analyses (GPC, FTIR, and NMR) confirmed the presence of β-(1 → 3) and β-(1 → 6) linkages and indicated polydispersity in the isolated β-D-glucan. Cytotoxicity assays show no toxic effect on NIH 3T3 cells, even at 1000 μg/mL. Lower concentrations (20, 100, and 500 μg/mL) promoted cell migration and wound closure in scratch assays. Hemolytic activity remained below 5%. The findings suggest that β-D-glucan from Lycoperdon pyriforme may support wound healing due to its non-toxic, hemocompatible, and coagulation-promoting properties. Future studies will focus on elucidating its mechanisms of action and evaluating clinical efficacy.
蘑菇已经成为替代医学的一个突出焦点,现在是越来越详细的科学研究的主题。本研究探讨了从梨形番茄中分离、纯化和表征β- d-葡聚糖,特别强调了其伤口愈合潜力。本研究的目的是从蘑菇的自然栖息地中分离、纯化和表征β-葡聚糖化合物。采用凝胶渗透色谱(GPC)、傅里叶变换红外光谱(FTIR)和核磁共振(NMR)光谱对化合物进行了表征。使用NIH 3T3细胞评估体外细胞毒性,并通过电子显微镜评估表面形态。光谱分析(GPC, FTIR和NMR)证实了β-(1→3)和β-(1→6)键的存在,并表明分离的β- d -葡聚糖具有多分散性。细胞毒性试验显示,即使浓度为1000 μg/mL,对NIH 3T3细胞也无毒性作用。较低浓度(20、100和500 μg/mL)可促进细胞迁移和伤口愈合。溶血活性维持在5%以下。研究结果表明,从梨形番茄中提取的β- d -葡聚糖可能因其无毒、血液相容性和促凝特性而促进伤口愈合。未来的研究将集中在阐明其作用机制和评估临床疗效上。
{"title":"Isolation, Characterization, and Wound-Healing Potential of β-D-Glucan from Lycoperdon pyriforme Schaeff","authors":"Elif Yavuz-Dokgöz, Meltem Güleç, Burçin İzbudak, Onur Şahin, Ayça Bal-Öztürk","doi":"10.1002/open.202500131","DOIUrl":"10.1002/open.202500131","url":null,"abstract":"<p>Mushrooms have become a prominent focus in alternative medicine and are now the subject of increasingly detailed scientific investigation. This study explores the isolation, purification, and characterization of <i>β</i>-<i>D</i>-glucan from <i>Lycoperdon pyriforme</i>, with particular emphasis on its wound-healing potential. The aim of this research is to isolate, purify, and characterize <i>β-</i>glucan compounds from mushrooms collected in their natural habitat. Gel permeation chromatography (GPC), Fourier transform infrared spectroscopy (FTIR), and nuclear magnetic resonance (NMR) spectroscopy are employed to characterize the compound. In vitro cytotoxicity is assessed using NIH 3T3 cells, and surface morphology is evaluated via electron microscopy. Spectroscopic analyses (GPC, FTIR, and NMR) confirmed the presence of <i>β</i>-(1 → 3) and <i>β</i>-(1 → 6) linkages and indicated polydispersity in the isolated <i>β-D-</i>glucan. Cytotoxicity assays show no toxic effect on NIH 3T3 cells, even at 1000 μg/mL. Lower concentrations (20, 100, and 500 μg/mL) promoted cell migration and wound closure in scratch assays. Hemolytic activity remained below 5%. The findings suggest that <i>β-D</i>-glucan from <i>Lycoperdon pyriforme</i> may support wound healing due to its non-toxic, hemocompatible, and coagulation-promoting properties. Future studies will focus on elucidating its mechanisms of action and evaluating clinical efficacy.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500131","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144728320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Quercetin, a plant-derived flavonoid, shows promising wound-healing properties due to its antioxidant, anti-inflammatory, and antibacterial effects. However, its limited water solubility limits its use. This study aims to enhance quercetin's efficacy by loading it onto graphene oxide (GO) and evaluating its in vitro effects for wound healing. GO is synthesized and quercetin is loaded onto its surface. Cytotoxicity of GO, quercetin, and quercetin-loaded GO on human foreskin fibroblasts is determined. The expression levels of genes NF-κB, IL-1β, and TNF-α are measured using qPCR. Wound healing is assessed via a scratch assay. The minimum inhibitory concentration (MIC) and maximum bactericidal concentration (MBC) of GO and quercetin-loaded GO against E. coli and S. aureus are determined. Results show quercetin release is higher at pH 8.5 (59%) compared to pH 7.4 (40%). Cytotoxicity studies indicate that quercetin-loaded GO enhances biocompatibility. The scratch assay shows a significantly higher wound closure rate in the quercetin-loaded GO group after 48 h, than GO and quercetin alone (p < 0.05). Additionally, quercetin-loaded GO exhibits antibacterial activity with MIC values of 4.8 μg mL−1 for both bacteria. These findings suggest that quercetin-loaded GO is a promising candidate for wound healing.
{"title":"Quercetin-Loaded Graphene Oxide Nanoparticles Modulate Inflammatory Gene Expression and Enhance Cell Migration In Vitro","authors":"Hossain Alipour, Elnaz Tamjid, Mehrdad Behmanesh","doi":"10.1002/open.202500215","DOIUrl":"10.1002/open.202500215","url":null,"abstract":"<p>Quercetin, a plant-derived flavonoid, shows promising wound-healing properties due to its antioxidant, anti-inflammatory, and antibacterial effects. However, its limited water solubility limits its use. This study aims to enhance quercetin's efficacy by loading it onto graphene oxide (GO) and evaluating its in vitro effects for wound healing. GO is synthesized and quercetin is loaded onto its surface. Cytotoxicity of GO, quercetin, and quercetin-loaded GO on human foreskin fibroblasts is determined. The expression levels of genes NF-κB, IL-1<i>β</i>, and TNF-<i>α</i> are measured using qPCR. Wound healing is assessed via a scratch assay. The minimum inhibitory concentration (MIC) and maximum bactericidal concentration (MBC) of GO and quercetin-loaded GO against <i>E. coli</i> and <i>S. aureus</i> are determined. Results show quercetin release is higher at pH 8.5 (59%) compared to pH 7.4 (40%). Cytotoxicity studies indicate that quercetin-loaded GO enhances biocompatibility. The scratch assay shows a significantly higher wound closure rate in the quercetin-loaded GO group after 48 h, than GO and quercetin alone (<i>p</i> < 0.05). Additionally, quercetin-loaded GO exhibits antibacterial activity with MIC values of 4.8 μg mL<sup>−1</sup> for both bacteria. These findings suggest that quercetin-loaded GO is a promising candidate for wound healing.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500215","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144697714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Saeede Azhari, Mohammad Majid Mojtahedi, M. Saeed Abaee
A double aldol condensation-Michael addition-cyclization-double click reaction sequence is conducted in one pot for the synthesis of a novel series of tetrahydro-chromene derivatives anchored with dual triazole rings. The process is optimized primarily step by step under ultrasonic irradiation in a basic aqueous t-BuOH medium. The steps are then successfully combined into a four-component one-pot reaction using the optimum conditions, where the whole operation took less than 2 h to complete. As a result, the new products are precipitated in the reaction vessel and obtained directly by simple filtration–crystallization without undergoing any other costly separation or chromatographic operations. The structures of the intermediates and the products are characterized using various spectroscopic methods.
{"title":"One-Pot Four-Component Synthesis of Novel Amino-Tetrahydro-Chromene Derivatives Anchored with Dual Triazole Moieties","authors":"Saeede Azhari, Mohammad Majid Mojtahedi, M. Saeed Abaee","doi":"10.1002/open.202500247","DOIUrl":"10.1002/open.202500247","url":null,"abstract":"<p>A double aldol condensation-Michael addition-cyclization-double click reaction sequence is conducted in one pot for the synthesis of a novel series of tetrahydro-chromene derivatives anchored with dual triazole rings. The process is optimized primarily step by step under ultrasonic irradiation in a basic aqueous <i>t</i>-BuOH medium. The steps are then successfully combined into a four-component one-pot reaction using the optimum conditions, where the whole operation took less than 2 h to complete. As a result, the new products are precipitated in the reaction vessel and obtained directly by simple filtration–crystallization without undergoing any other costly separation or chromatographic operations. The structures of the intermediates and the products are characterized using various spectroscopic methods.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500247","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nara Juliana Santos Araújo, Camila Aparecida Pereira Silva, Vanessa Lima Bezerra, Cicera Datiane Morais Oliveira-Tintino, Gabriel Gonçalves de Alencar, Maria do Socorro Costa, Ana Raquel Pereira da Silva, Josefa Sayonara dos Santos, Kamila Correa Camara, Heberty diTarso Fernandes Facundo, Lívia Pereira Ferreira, Henrique Douglas Melo Coutinho, José Maria Barbosa Filho, Carolina Bandeira Domiciano, José Bezerra de Araújo-Neto, Jacqueline Cosmo Andrade-Pinheiro
Antimicrobial resistance remains one of the major challenges to global public health, compromising the effectiveness of treatments and contributing to increased morbidity and mortality associated with bacterial infections. Among the mechanisms involved, efflux pumps—such as NorA, expressed in resistant strains of Staphylococcus aureus—are particularly noteworthy. These transport proteins actively expel antibiotics from the cell, reducing their intracellular concentration. In this context, natural compounds have been explored as potential resistance inhibitors, with a focus on the triterpene lupeol, known for its pharmacological properties. This study evaluates the activity of lupeol against the NorA efflux pump using in vitro assays and in silico modeling. The minimum inhibitory concentration (MIC) is determined by broth microdilution, and pump inhibition is assessed via ethidium bromide-induced fluorescence. SYTOX Green assays indicated that lupeol does not compromise bacterial membrane integrity. Although lupeol presented a MIC ≥ 1024 μg mL−1, it demonstrates significant inhibition of NorA activity. Molecular docking reveals a binding energy of –7.112 kcal mol−1 and interactions with key residues of the protein, outperforming the CCCP control. These findings suggest that lupeol acts as a modulator of bacterial resistance, with potential application as a therapeutic adjuvant in the treatment of infections caused by multidrug-resistant S. aureus.
{"title":"Lupeol as a Potential Inhibitor of NorA Efflux Pumps in Staphylococcus aureus: In Silico and In Vitro Evidence","authors":"Nara Juliana Santos Araújo, Camila Aparecida Pereira Silva, Vanessa Lima Bezerra, Cicera Datiane Morais Oliveira-Tintino, Gabriel Gonçalves de Alencar, Maria do Socorro Costa, Ana Raquel Pereira da Silva, Josefa Sayonara dos Santos, Kamila Correa Camara, Heberty diTarso Fernandes Facundo, Lívia Pereira Ferreira, Henrique Douglas Melo Coutinho, José Maria Barbosa Filho, Carolina Bandeira Domiciano, José Bezerra de Araújo-Neto, Jacqueline Cosmo Andrade-Pinheiro","doi":"10.1002/open.202500227","DOIUrl":"10.1002/open.202500227","url":null,"abstract":"<p>Antimicrobial resistance remains one of the major challenges to global public health, compromising the effectiveness of treatments and contributing to increased morbidity and mortality associated with bacterial infections. Among the mechanisms involved, efflux pumps—such as NorA, expressed in resistant strains of <i>Staphylococcus aureus</i>—are particularly noteworthy. These transport proteins actively expel antibiotics from the cell, reducing their intracellular concentration. In this context, natural compounds have been explored as potential resistance inhibitors, with a focus on the triterpene lupeol, known for its pharmacological properties. This study evaluates the activity of lupeol against the NorA efflux pump using in vitro assays and in silico modeling. The minimum inhibitory concentration (MIC) is determined by broth microdilution, and pump inhibition is assessed via ethidium bromide-induced fluorescence. SYTOX Green assays indicated that lupeol does not compromise bacterial membrane integrity. Although lupeol presented a MIC ≥ 1024 μg mL<sup>−1</sup>, it demonstrates significant inhibition of NorA activity. Molecular docking reveals a binding energy of –7.112 kcal mol<sup>−1</sup> and interactions with key residues of the protein, outperforming the CCCP control. These findings suggest that lupeol acts as a modulator of bacterial resistance, with potential application as a therapeutic adjuvant in the treatment of infections caused by multidrug-resistant <i>S. aureus.</i></p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500227","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144682051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Electrochemical glucose sensing technologies have undergone significant evolution, with continual advancements aimed at improving sensitivity, selectivity, and user convenience. This review systematically explores the development of emerging nonenzymatic glucose sensor designs. Nonenzymatic sensors are critically evaluated for their ability to overcome enzymatic limitations, leveraging novel materials and catalytic mechanisms. Additionally, the emergence of smartphone-integrated glucose monitoring systems is highlighted as the fifth generation, representing a paradigm shift toward personalized, real-time healthcare management. Emphasis is placed on the strategies employed to reduce the working electrode potential and enhance analytical performance. Key analytical metrics and real-sample applicability are evaluated, and persistent challenges including reliability, biocompatibility, and calibration-free operation are identified. Further, this review provides a critical perspective on the trajectory of electrochemical nonenzymatic glucose sensor technologies and outlines future directions toward the development of next-generation platforms for continuous and noninvasive glucose monitoring.
{"title":"Electrochemical and Nanomaterial-Based Strategies for Nonenzymatic Glucose Detection: A Review","authors":"Reagan Aviha, Gymama Slaughter","doi":"10.1002/open.202500304","DOIUrl":"10.1002/open.202500304","url":null,"abstract":"<p>Electrochemical glucose sensing technologies have undergone significant evolution, with continual advancements aimed at improving sensitivity, selectivity, and user convenience. This review systematically explores the development of emerging nonenzymatic glucose sensor designs. Nonenzymatic sensors are critically evaluated for their ability to overcome enzymatic limitations, leveraging novel materials and catalytic mechanisms. Additionally, the emergence of smartphone-integrated glucose monitoring systems is highlighted as the fifth generation, representing a paradigm shift toward personalized, real-time healthcare management. Emphasis is placed on the strategies employed to reduce the working electrode potential and enhance analytical performance. Key analytical metrics and real-sample applicability are evaluated, and persistent challenges including reliability, biocompatibility, and calibration-free operation are identified. Further, this review provides a critical perspective on the trajectory of electrochemical nonenzymatic glucose sensor technologies and outlines future directions toward the development of next-generation platforms for continuous and noninvasive glucose monitoring.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500304","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144673945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study investigates the phytochemical profile, antibiofilm, and anticancer properties of the endemic Stachys longiflora. Phytochemical analysis is performed using liquid chromatography coupled with electrospray ionization tandem mass spectrometry, identifying 19 compounds, with verbascoside as the major component (12 290 ± 21 μg g−1). The anticancer activity of the extract is assessed on MCF-7 breast cancer cells using the MTT assay. IC50 value is determined to be 5 mg mL−1. Oxidative stress parameters, including total oxidant and antioxidant status, along with inflammatory cytokine levels, are measured in cell lysates. The cytokines TNF-α, TGF-β, DEF-β, and IL-1β are found to be elevated in all treatment groups compared to the control. Antibiofilm activity against Staphylococcus aureus ATCC 25923 is evaluated using the MTT method and scanning electron microscopy. The minimum inhibitory concentration of the plant extract is determined to be 250 μg mL−1. Biofilm inhibition and biofilm eradication increase in parallel with the concentration of the plant extract. At 2× MIC, biofilm inhibition and eradication are 74.37 ± 1.39% and 44.99 ± 1.03%, respectively. These findings highlight Stachys longiflora as a promising source of bioactive compounds with significant antibiofilm and anticancer properties.
{"title":"Exploring the Anticancer, Anti-Inflammatory, and Antibiofilm Efficacy of Endemic Stachys longiflora: Insights into the Phytochemical Composition","authors":"Ecem GÜLDAR, Sevim Feyza ERDOĞMUŞ, Cengiz SARIKURKCU","doi":"10.1002/open.202500146","DOIUrl":"10.1002/open.202500146","url":null,"abstract":"<p>This study investigates the phytochemical profile, antibiofilm, and anticancer properties of the endemic <i>Stachys longiflora</i>. Phytochemical analysis is performed using liquid chromatography coupled with electrospray ionization tandem mass spectrometry, identifying 19 compounds, with verbascoside as the major component (12 290 ± 21 μg g<sup>−1</sup>). The anticancer activity of the extract is assessed on MCF-7 breast cancer cells using the MTT assay. IC<sub>50</sub> value is determined to be 5 mg mL<sup>−1</sup>. Oxidative stress parameters, including total oxidant and antioxidant status, along with inflammatory cytokine levels, are measured in cell lysates. The cytokines TNF-α, TGF-β, DEF-β, and IL-1β are found to be elevated in all treatment groups compared to the control. Antibiofilm activity against <i>Staphylococcus aureus</i> ATCC 25923 is evaluated using the MTT method and scanning electron microscopy. The minimum inhibitory concentration of the plant extract is determined to be 250 μg mL<sup>−1</sup>. Biofilm inhibition and biofilm eradication increase in parallel with the concentration of the plant extract. At 2× MIC, biofilm inhibition and eradication are 74.37 ± 1.39% and 44.99 ± 1.03%, respectively. These findings highlight <i>Stachys longiflora</i> as a promising source of bioactive compounds with significant antibiofilm and anticancer properties.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500146","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144673966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ren Yang, Xiaohan Ma, Mingcheng Xuan, Yingqi Ma, Jiexian Ding, David Y. S. Chau, Jonathan C. Knowles, Feng Peng, Alessandro Poma
This review explores the application of molecularly imprinted polymers (MIPs) in detecting bone turnover biomarkers and advancing osteogenic treatment strategies. MIPs, designed to mimic biological recognition sites, offer innovative solutions for precise molecular recognition in bone health management. Chemical methodologies for MIPs synthesis and their integration into diagnostic systems for detecting bone resorption markers are highlighted. Furthermore, MIP-driven therapeutic advancements, including controlled drug release, cell imprinting for osteogenic differentiation, and functional scaffolds for tissue regeneration, are emphasized. This review underscores MIPs’ potential to revolutionize bone disease management and calls for further exploration into chemical designs to optimize their clinical and practical applications.
{"title":"Advances in Molecularly Imprinted Polymers for Bone Biomarker Detection and Therapeutic Applications","authors":"Ren Yang, Xiaohan Ma, Mingcheng Xuan, Yingqi Ma, Jiexian Ding, David Y. S. Chau, Jonathan C. Knowles, Feng Peng, Alessandro Poma","doi":"10.1002/open.202500127","DOIUrl":"10.1002/open.202500127","url":null,"abstract":"<p>This review explores the application of molecularly imprinted polymers (MIPs) in detecting bone turnover biomarkers and advancing osteogenic treatment strategies. MIPs, designed to mimic biological recognition sites, offer innovative solutions for precise molecular recognition in bone health management. Chemical methodologies for MIPs synthesis and their integration into diagnostic systems for detecting bone resorption markers are highlighted. Furthermore, MIP-driven therapeutic advancements, including controlled drug release, cell imprinting for osteogenic differentiation, and functional scaffolds for tissue regeneration, are emphasized. This review underscores MIPs’ potential to revolutionize bone disease management and calls for further exploration into chemical designs to optimize their clinical and practical applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500127","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144658560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Luis Alfonso Cárdenas-Granados, Manuel Alejandro Hernández-Serda, Omar Joel Villegas-Solís, Víctor Hugo Vázquez-Valadez, Aldo Yoshio Alarcón-López, Pablo A. Martínez-Soriano, Jaqueline Ramos-Sánchez, Tannya Karen Castro-Jiménez, José Bustos-Arriaga, Enrique Angeles
Dengue, classified as a neglected tropical disease and transmitted by Aedes mosquitoes, remains a significant global health challenge, often evolving into severe clinical manifestations such as hemorrhagic fever. Despite its widespread impact, no antiviral therapy has been approved to date, highlighting the urgent need for effective and accessible treatment options. In the present work, computational analysis is performed on an in-house library of easily synthesized caffeic acid phenethyl ester analogs, which exhibit potential activity against the viral envelope (E) protein, a critical mediator of dengue virus entry and membrane fusion. Among them, LQM778 demonstrated consistent stability within the protein–ligand complex during molecular dynamics simulations. This finding provides a foundation for in vitro studies and future structural optimizations that could transform the landscape of antiviral development against dengue.
{"title":"“Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti-Dengue Virus Activity”","authors":"Luis Alfonso Cárdenas-Granados, Manuel Alejandro Hernández-Serda, Omar Joel Villegas-Solís, Víctor Hugo Vázquez-Valadez, Aldo Yoshio Alarcón-López, Pablo A. Martínez-Soriano, Jaqueline Ramos-Sánchez, Tannya Karen Castro-Jiménez, José Bustos-Arriaga, Enrique Angeles","doi":"10.1002/open.202500107","DOIUrl":"10.1002/open.202500107","url":null,"abstract":"<p>Dengue, classified as a neglected tropical disease and transmitted by <i>Aedes</i> mosquitoes, remains a significant global health challenge, often evolving into severe clinical manifestations such as hemorrhagic fever. Despite its widespread impact, no antiviral therapy has been approved to date, highlighting the urgent need for effective and accessible treatment options. In the present work, computational analysis is performed on an in-house library of easily synthesized caffeic acid phenethyl ester analogs, which exhibit potential activity against the viral envelope (E) protein, a critical mediator of dengue virus entry and membrane fusion. Among them, LQM778 demonstrated consistent stability within the protein–ligand complex during molecular dynamics simulations. This finding provides a foundation for in vitro studies and future structural optimizations that could transform the landscape of antiviral development against dengue.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500107","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Anna Giulia Cardone, Mattia Bartoli, Adriano Sacco, Candido Fabrizio Pirri, Marco Etzi
This study investigates a microwave-assisted synthesis method for producing IrNi bimetallic catalysts for the oxygen evolution reaction in acidic environment. Due to the high cost of iridium-based catalysts used in the anodes of proton-exchange membrane electrolyzers, reducing the noble metal content while maintaining high performance is crucial. In this work, materials with various IrNi atomic ratios are synthesized and their impact on the catalyst microstructure, phase composition, and electrochemical performance is evaluated. The results reveal a synergistic effect between the two metals, with 60 at% Ni identified as the optimal nominal composition. This catalyst achieves an overpotential of 274 mV at 10 mA cm−2 and a Tafel slope of 49 mV dec−1 in 0.5 M H2SO4 electrolyte, outperforming commercial IrO2 (320 mV at 10 mA cm−2 and 56 mV dec−1). The higher activity is retained after both a 6 h chronoamperometry and an accelerated degradation test, during which Ni acts as a sacrificial component and the electrochemically surface area of the films increases. Overall, this study demonstrates the potential of microwave-assisted synthesis, a greener and faster alternative to conventional methods, for developing low Ir-content catalysts with enhanced performance.
研究了在酸性环境下微波辅助合成Ir - apple - Ni双金属析氧催化剂的方法。由于用于质子交换膜电解槽阳极的铱基催化剂成本高昂,因此在保持高性能的同时降低贵金属含量至关重要。在这项工作中,合成了不同Ir - Ni原子比的材料,并评估了它们对催化剂微观结构、相组成和电化学性能的影响。结果表明两种金属之间存在协同效应,其中60% at% Ni被确定为最佳标称成分。该催化剂在10 mA cm-2下的过电位为274 mV,在0.5 M H2SO4电解质中,Tafel斜率为49 mV dec1,优于商用IrO2 (10 mA cm-2下320 mV和56 mV dec1)。在6小时计时电流测定和加速降解测试后,较高的活性仍然保持,在此期间,Ni作为牺牲成分,薄膜的电化学表面积增加。总的来说,这项研究证明了微波辅助合成的潜力,这是一种更环保、更快速的替代传统方法,用于开发具有增强性能的低含量ir催化剂。
{"title":"Microwave-Assisted Synthesis of IrNi Electrocatalysts for the Oxygen Evolution Reaction in Acidic Electrolyte","authors":"Anna Giulia Cardone, Mattia Bartoli, Adriano Sacco, Candido Fabrizio Pirri, Marco Etzi","doi":"10.1002/open.202500279","DOIUrl":"10.1002/open.202500279","url":null,"abstract":"<p>This study investigates a microwave-assisted synthesis method for producing Ir<span></span>Ni bimetallic catalysts for the oxygen evolution reaction in acidic environment. Due to the high cost of iridium-based catalysts used in the anodes of proton-exchange membrane electrolyzers, reducing the noble metal content while maintaining high performance is crucial. In this work, materials with various Ir<span></span>Ni atomic ratios are synthesized and their impact on the catalyst microstructure, phase composition, and electrochemical performance is evaluated. The results reveal a synergistic effect between the two metals, with 60 at% Ni identified as the optimal nominal composition. This catalyst achieves an overpotential of 274 mV at 10 mA cm<sup>−2</sup> and a Tafel slope of 49 mV dec<sup>−1</sup> in 0.5 M H<sub>2</sub>SO<sub>4</sub> electrolyte, outperforming commercial IrO<sub>2</sub> (320 mV at 10 mA cm<sup>−2</sup> and 56 mV dec<sup>−1</sup>). The higher activity is retained after both a 6 h chronoamperometry and an accelerated degradation test, during which Ni acts as a sacrificial component and the electrochemically surface area of the films increases. Overall, this study demonstrates the potential of microwave-assisted synthesis, a greener and faster alternative to conventional methods, for developing low Ir-content catalysts with enhanced performance.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500279","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Meryem Burcu Külahcı, Betül Aydın, Emine Incilay Torunoğlu, Zekeriya Düzgün, Alper Durmaz, Erdi Can Aytar
This study investigates the antioxidant, antimicrobial, antibiofilm, and antiquorum sensing activities of Arenaria serpyllifolia extract. A methanolic extract from the plant's above-ground parts is prepared via maceration. The extract exhibits strong antioxidant properties (DPPH IC50: 355.54 ± 20.62 μg mL−1) and iron chelating ability (IC50: 5.30 ± 4.44 mg mL−1). Total flavonoid and phenolic contents are 75.15 ± 2.73 mg quercetin equivalent g−1 and 150.83 ± 11.24 mg gallic acid equivalent g−1, respectively. Antimicrobial tests show notable activity against Chromobacterium violaceum (minimal inhibitory concentration (MIC) < 5 mg mL−1). Antibiofilm effects are significant with 82.52% and 81.32% inhibition at MIC and sub-MIC levels. The extract also inhibits violacein production in the C. violaceum CV12472 strain (90.76% at MIC). Gas chromatography-mass spectrometry analysis identifies seven major compounds, including allyl isothiocyanate and levoglucosan. Molecular docking reveals levoglucosan as the most potent CviR receptor binder (−6.8 kcal mol−1). These interactions suggest possible quorum sensing inhibition via antagonism. Molecular dynamics simulations confirm the stability of the ligand–receptor complexes, highlighting guanosine and levoglucosan as promising leads for drug development.
{"title":"Arenaria serpyllifolia as a Natural Antiviolaceum Agent: Phytochemical, Biological, and Molecular Approaches","authors":"Meryem Burcu Külahcı, Betül Aydın, Emine Incilay Torunoğlu, Zekeriya Düzgün, Alper Durmaz, Erdi Can Aytar","doi":"10.1002/open.202500236","DOIUrl":"10.1002/open.202500236","url":null,"abstract":"<p>This study investigates the antioxidant, antimicrobial, antibiofilm, and antiquorum sensing activities of <i>Arenaria serpyllifolia</i> extract. A methanolic extract from the plant's above-ground parts is prepared via maceration. The extract exhibits strong antioxidant properties (DPPH IC<sub>50</sub>: 355.54 ± 20.62 μg mL<sup>−1</sup>) and iron chelating ability (IC<sub>50</sub>: 5.30 ± 4.44 mg mL<sup>−1</sup>). Total flavonoid and phenolic contents are 75.15 ± 2.73 mg quercetin equivalent g<sup>−1</sup> and 150.83 ± 11.24 mg gallic acid equivalent g<sup>−1</sup>, respectively. Antimicrobial tests show notable activity against <i>Chromobacterium violaceum</i> (minimal inhibitory concentration (MIC) < 5 mg mL<sup>−1</sup>). Antibiofilm effects are significant with 82.52% and 81.32% inhibition at MIC and sub-MIC levels. The extract also inhibits violacein production in the <i>C. violaceum</i> CV12472 strain (90.76% at MIC). Gas chromatography-mass spectrometry analysis identifies seven major compounds, including allyl isothiocyanate and levoglucosan. Molecular docking reveals levoglucosan as the most potent CviR receptor binder (−6.8 kcal mol<sup>−1</sup>). These interactions suggest possible quorum sensing inhibition via antagonism. Molecular dynamics simulations confirm the stability of the ligand–receptor complexes, highlighting guanosine and levoglucosan as promising leads for drug development.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/open.202500236","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144636316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}