Zhaohong Sun, Carlos Mora Perez, Oleg V. Prezhdo* and Richard L. Brutchey*,
{"title":"","authors":"Zhaohong Sun, Carlos Mora Perez, Oleg V. Prezhdo* and Richard L. Brutchey*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"4 6","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.8,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsnanoscienceau.4c00022","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144433028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Louise O. H. Hyllested, Idunn Prestholm and Gemma C. Solomon*,
{"title":"","authors":"Louise O. H. Hyllested, Idunn Prestholm and Gemma C. Solomon*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"4 6","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.8,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsnanoscienceau.4c00041","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144391242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rebecca L. Li, Nicholas Sbalbi, Matthew Ye and Robert J. Macfarlane*,
{"title":"","authors":"Rebecca L. Li, Nicholas Sbalbi, Matthew Ye and Robert J. Macfarlane*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"4 6","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.8,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsnanoscienceau.4c00062","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144391235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2024-12-16eCollection Date: 2025-06-18DOI: 10.1021/acsnanoscienceau.4c00058
João Paulo Cerqueira Felix, Wanderson Souza Araújo, João Marcos Tomaz Palheta, Jônatas Favotto Dalmedico, Fabiano Pereira de Oliveira, Alexandre C Dias, Diego Guedes-Sobrinho, Celso R C Rêgo, Renato L T Parreira, Maurício J Piotrowski
{"title":"Highlighting the Potential of Synergistic Cu-Pt Single-Atom Alloy Sub-nanoclusters for Enhanced H<sub>2</sub> Adsorption: A DFT Investigation.","authors":"João Paulo Cerqueira Felix, Wanderson Souza Araújo, João Marcos Tomaz Palheta, Jônatas Favotto Dalmedico, Fabiano Pereira de Oliveira, Alexandre C Dias, Diego Guedes-Sobrinho, Celso R C Rêgo, Renato L T Parreira, Maurício J Piotrowski","doi":"10.1021/acsnanoscienceau.4c00058","DOIUrl":"10.1021/acsnanoscienceau.4c00058","url":null,"abstract":"<p><p>Single-atom alloy sub-nanoclusters offer promising potential for understanding intricate interfacial phenomena at the atomic level, enabling the rational design of efficient catalysts and nanomaterials for H<sub>2</sub> energy storage, purification, and conversion. Herein, we employed density functional theory calculations improved by van der Waals corrections to investigate H<sub>2</sub> adsorption on pure copper (Cu <sub><i>n</i></sub> ) and copper-platinum (Cu <sub><i>n</i>-1</sub>Pt) sub-nanoclusters. We characterized Cu <sub><i>n</i></sub> sub-nanoclusters ranging from <i>n</i> = 2 to <i>n</i> = 14, identifying the most stable sizes (4, 6, 8, 10, and 12) through a set of stability analysis. Subsequently, we substituted a single Cu atom with Pt to form single-atom alloy Cu <sub><i>n</i>-1</sub>Pt sub-nanoclusters, which showed enhanced stabilization and reactivity compared to pure Cu sub-nanoclusters. While Cu-only sub-nanoclusters exhibited weak side-on interactions with H<sub>2</sub>, resulting in minimal charge transfer and negligible structural changes, CuPt-based sub-nanoclusters showed strong interactions characterized by molecular dissociation (H-H bond breaking) and significant charge transfer from the sub-nanoclusters to the H atoms. These findings highlight the synergistic effects of the Cu-Pt combination and provide valuable insights into the fundamental processes of H<sub>2</sub> adsorption on metal sub-nanoclusters, with significant implications for catalytic applications and materials design in hydrogen-related technologies.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"5 3","pages":"153-164"},"PeriodicalIF":4.8,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12183594/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144486222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2024-12-16DOI: 10.1021/acsnanoscienceau.4c0005810.1021/acsnanoscienceau.4c00058
João Paulo Cerqueira Felix, Wanderson Souza Araújo, João Marcos Tomaz Palheta, Jônatas Favotto Dalmedico, Fabiano Pereira de Oliveira, Alexandre C. Dias, Diego Guedes-Sobrinho, Celso R. C. Rêgo, Renato L. T. Parreira and Maurício J. Piotrowski*,
{"title":"Highlighting the Potential of Synergistic Cu–Pt Single-Atom Alloy Sub-nanoclusters for Enhanced H2 Adsorption: A DFT Investigation","authors":"João Paulo Cerqueira Felix, Wanderson Souza Araújo, João Marcos Tomaz Palheta, Jônatas Favotto Dalmedico, Fabiano Pereira de Oliveira, Alexandre C. Dias, Diego Guedes-Sobrinho, Celso R. C. Rêgo, Renato L. T. Parreira and Maurício J. Piotrowski*, ","doi":"10.1021/acsnanoscienceau.4c0005810.1021/acsnanoscienceau.4c00058","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.4c00058https://doi.org/10.1021/acsnanoscienceau.4c00058","url":null,"abstract":"<p >Single-atom alloy sub-nanoclusters offer promising potential for understanding intricate interfacial phenomena at the atomic level, enabling the rational design of efficient catalysts and nanomaterials for H<sub>2</sub> energy storage, purification, and conversion. Herein, we employed density functional theory calculations improved by van der Waals corrections to investigate H<sub>2</sub> adsorption on pure copper (Cu<sub><i>n</i></sub>) and copper–platinum (Cu<sub><i>n</i>–1</sub>Pt) sub-nanoclusters. We characterized Cu<sub><i>n</i></sub> sub-nanoclusters ranging from <i>n</i> = 2 to <i>n</i> = 14, identifying the most stable sizes (4, 6, 8, 10, and 12) through a set of stability analysis. Subsequently, we substituted a single Cu atom with Pt to form single-atom alloy Cu<sub><i>n</i>–1</sub>Pt sub-nanoclusters, which showed enhanced stabilization and reactivity compared to pure Cu sub-nanoclusters. While Cu-only sub-nanoclusters exhibited weak side-on interactions with H<sub>2</sub>, resulting in minimal charge transfer and negligible structural changes, CuPt-based sub-nanoclusters showed strong interactions characterized by molecular dissociation (H–H bond breaking) and significant charge transfer from the sub-nanoclusters to the H atoms. These findings highlight the synergistic effects of the Cu–Pt combination and provide valuable insights into the fundamental processes of H<sub>2</sub> adsorption on metal sub-nanoclusters, with significant implications for catalytic applications and materials design in hydrogen-related technologies.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"5 3","pages":"153–164 153–164"},"PeriodicalIF":4.8,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsnanoscienceau.4c00058","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144305857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhanced Anti-Inflammatory and Skin Barrier Repair Effects of Nanoemulsions Supplemented with <i>Boesenbergia rotunda</i> for Atopic Dermatitis.","authors":"Desy Liana, Jaruwan Chatwichien, Anuchit Phanumartwiwath","doi":"10.1021/acsnanoscienceau.4c00053","DOIUrl":"10.1021/acsnanoscienceau.4c00053","url":null,"abstract":"<p><p>Betamethasone dipropionate (BD) is a potent anti-inflammatory drug for atopic dermatitis (AD); however, it leads to serious adverse effects during prolonged use. We aimed to improve the biochemical properties and lower the risk of toxicity by preparing nanoemulsions containing <i>Boesenbergia rotunda</i> rhizome hexane extract (Hex) and essential oils (EO). Physicochemical characterization and 3-month long-term stability testing were conducted. Gas chromatography-mass spectrometry analysis was used to compare the volatile composition after nanoemulsion formulation. Further, various assays related to AD management, including antioxidant potentials, anti-inflammatory activities through inhibition of 5-lipoxygenase and cyclooxygenase-2, and nitric oxide release suppression in lipopolysaccharides-induced RAW 264.7 macrophages, were investigated. In addition, antibacterial activity against <i>Staphylococcus aureus</i> and cytotoxicity to RAW 264.7 macrophages and HaCaT human keratinocyte cells were also evaluated. Monodispersed nanoemulsions (<20 nm) were successfully generated by an ultrasound-assisted method. BD was successfully encapsulated into <i>B. rotunda</i>-based nanoemulsions with more than 95% encapsulation efficiency (EE). The major phytochemicals present in EO and Hex remained after nanoemulsion formulation. The nanoemulsions were compatible with skin pH (5.2-5.8) and exhibited stability with respect to particle size, polydispersity index, transmittance, pH, and EE when stored for 3 months at -20 °C. The BD nanoemulsions loaded with <i>B. rotunda</i> exhibited antioxidant activities and significantly increased the 5-lipoxygenase inhibitory activity. Furthermore, the suppression of nitric oxide release was remarkably enhanced, whereas lower cytotoxicity was observed. The BD nanoemulsions improved the level of involucrin and filaggrin in HaCaT cells, implying their valuable property for skin barrier repair. The formulation of BD into nanoemulsions also enhanced <i>S. aureus</i> inhibition. Either <i>B. rotunda</i> nanoemulsions loaded with or without BD show promise for the topical treatment and prevention of AD.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"5 1","pages":"37-51"},"PeriodicalIF":4.8,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11843515/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143484045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Nanoscience AuPub Date : 2024-12-02DOI: 10.1021/acsnanoscienceau.4c0005310.1021/acsnanoscienceau.4c00053
Desy Liana, Jaruwan Chatwichien and Anuchit Phanumartwiwath*,
{"title":"Enhanced Anti-Inflammatory and Skin Barrier Repair Effects of Nanoemulsions Supplemented with Boesenbergia rotunda for Atopic Dermatitis","authors":"Desy Liana, Jaruwan Chatwichien and Anuchit Phanumartwiwath*, ","doi":"10.1021/acsnanoscienceau.4c0005310.1021/acsnanoscienceau.4c00053","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.4c00053https://doi.org/10.1021/acsnanoscienceau.4c00053","url":null,"abstract":"<p >Betamethasone dipropionate (BD) is a potent anti-inflammatory drug for atopic dermatitis (AD); however, it leads to serious adverse effects during prolonged use. We aimed to improve the biochemical properties and lower the risk of toxicity by preparing nanoemulsions containing <i>Boesenbergia rotunda</i> rhizome hexane extract (Hex) and essential oils (EO). Physicochemical characterization and 3-month long-term stability testing were conducted. Gas chromatography–mass spectrometry analysis was used to compare the volatile composition after nanoemulsion formulation. Further, various assays related to AD management, including antioxidant potentials, anti-inflammatory activities through inhibition of 5-lipoxygenase and cyclooxygenase-2, and nitric oxide release suppression in lipopolysaccharides-induced RAW 264.7 macrophages, were investigated. In addition, antibacterial activity against <i>Staphylococcus aureus</i> and cytotoxicity to RAW 264.7 macrophages and HaCaT human keratinocyte cells were also evaluated. Monodispersed nanoemulsions (<20 nm) were successfully generated by an ultrasound-assisted method. BD was successfully encapsulated into <i>B. rotunda</i>-based nanoemulsions with more than 95% encapsulation efficiency (EE). The major phytochemicals present in EO and Hex remained after nanoemulsion formulation. The nanoemulsions were compatible with skin pH (5.2–5.8) and exhibited stability with respect to particle size, polydispersity index, transmittance, pH, and EE when stored for 3 months at −20 °C. The BD nanoemulsions loaded with <i>B. rotunda</i> exhibited antioxidant activities and significantly increased the 5-lipoxygenase inhibitory activity. Furthermore, the suppression of nitric oxide release was remarkably enhanced, whereas lower cytotoxicity was observed. The BD nanoemulsions improved the level of involucrin and filaggrin in HaCaT cells, implying their valuable property for skin barrier repair. The formulation of BD into nanoemulsions also enhanced <i>S. aureus</i> inhibition. Either <i>B. rotunda</i> nanoemulsions loaded with or without BD show promise for the topical treatment and prevention of AD.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"5 1","pages":"37–51 37–51"},"PeriodicalIF":4.8,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsnanoscienceau.4c00053","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}