IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-20 DOI: 10.1016/j.nantod.2025.102662

David Loffreda , Nathalie Tarrat , Corinne Lacaze-Dufaure , Franck Rabilloud , Katia Fajerwerg , Myrtil L. Kahn , Vincent Collière , Christine Lepetit , Pierre Fau

A multiscale approach, combining density functional theory models of functionalized silver nanoparticles and extended surfaces, is introduced to predict the competition between ordered nanoparticles at experimentally relevant size. An original theoretical descriptor, named synthesis energy, is defined and validated by high resolution transmission electron microscopy characterizations of silver nanoparticles synthesized in a solvated amine and amidine medium. Microscopy images show that icosahedral clusters cover 90 % of statistics around 7 nm, with very minority face-centered cubic particles (1 %). This trend is counter-intuitive compared to face-centered cubic morphologies reported in the literature. The ab initio models show a larger stability for octylamine over methyl amidine ligands on small silver nanoparticles (1.5 nm). At larger size (2.5 nm), the octylamine-covered silver nanocluster models indicate a clear preference for icosahedra. To reach the experimental size, the computed synthesis energy is decomposed into several contributions and shows the prevalence of the clean nanoparticle cohesion energy normalized by its surface area, over the ligand adsorption strength, the precursor dissociation and the adhesion of the cluster on the support. A mathematical model fitting ab initio data and predicting this cohesion energy at any size, relevantly captures the competition between morphologies, by showing a net preference for icosahedra at 7 nm, in agreement with experiments.

{"title":"Competition between ordered morphologies of functionalized silver nanoparticles elucidated by a joint experimental and multiscale theoretical study","authors":"David Loffreda , Nathalie Tarrat , Corinne Lacaze-Dufaure , Franck Rabilloud , Katia Fajerwerg , Myrtil L. Kahn , Vincent Collière , Christine Lepetit , Pierre Fau","doi":"10.1016/j.nantod.2025.102662","DOIUrl":"10.1016/j.nantod.2025.102662","url":null,"abstract":"<div><div>A multiscale approach, combining density functional theory models of functionalized silver nanoparticles and extended surfaces, is introduced to predict the competition between ordered nanoparticles at experimentally relevant size. An original theoretical descriptor, named synthesis energy, is defined and validated by high resolution transmission electron microscopy characterizations of silver nanoparticles synthesized in a solvated amine and amidine medium. Microscopy images show that icosahedral clusters cover 90 % of statistics around 7 nm, with very minority face-centered cubic particles (1 %). This trend is counter-intuitive compared to face-centered cubic morphologies reported in the literature. The <em>ab initio</em> models show a larger stability for octylamine over methyl amidine ligands on small silver nanoparticles (1.5 nm). At larger size (2.5 nm), the octylamine-covered silver nanocluster models indicate a clear preference for icosahedra. To reach the experimental size, the computed synthesis energy is decomposed into several contributions and shows the prevalence of the clean nanoparticle cohesion energy normalized by its surface area, over the ligand adsorption strength, the precursor dissociation and the adhesion of the cluster on the support. A mathematical model fitting <em>ab initio</em> data and predicting this cohesion energy at any size, relevantly captures the competition between morphologies, by showing a net preference for icosahedra at 7 nm, in agreement with experiments.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"62 ","pages":"Article 102662"},"PeriodicalIF":13.2,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Reticular photothermal traps enabling transparent coatings with exceptional all-day icephobicity

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-18 DOI: 10.1016/j.nantod.2025.102673

Jianhui Zhang , Vikramjeet Singh , Prasenjit Kabi , Wei Huang , Simrandeep Bahal , Ioannis Papakonstantinou , Manish K. Tiwari

Inhibiting ice formation is important in many applications as well as for tackling the global energy crisis and natural disasters. Most passive icephobic surfaces lose the icephobicity in extremely cold environments due to heat loss and inevitable heterogeneous nucleation. Here, we report a rational reticular-chemistry-engineered photothermal superhydrophobic coating to address this challenge. First, hydrophobic ∼ 20-nm metal−organic framework (MOF) nanoparticles are synthesized and dispersed in a self-healing polydimethyl siloxane (PDMS) to obtain a coating which achieves superhydrophobicity, low ice adhesion, and optical transparency. The transparency results from minimal light scattering due to an all-nanoscale hierarchy of roughness (nanohierarchy), i.e. a combination of nanoparticle or their cluster (∼100 nm-scale) and the sub-nm MOF pores. Next, we grow MOF on carbon nanotubes (CNTs) for a synergistic combination of thermal insulation (heat localisation) and photothermal trapping, while sub-nm MOF pores are expected to result in an interfacial nanoconfinement effect. Non-equilibrium molecular dynamics simulation and thermal conductivity measurements are used to understand the energy localisation and trapping, and ice nucleation experiments demonstrate the exceptional inhibition of ice nucleation and all-day extreme icephobicity. These MOF/CNT hybrid particles are dispersed in the self-healing PDMS to obtain sprayable coatings with excellent anti-icing and built-in mechanical damage tolerance featuring room-temperature healing capability. Strikingly, supercooled droplets on these surfaces at ∼−40 °C and ∼30 % relative humidity evaporated fully before freezing. The reticular photothermal traps may offer a promising strategy to obtain damage tolerant icephobic surfaces delaying freezing nearly to the homogeneous nucleation temperatures.

{"title":"Reticular photothermal traps enabling transparent coatings with exceptional all-day icephobicity","authors":"Jianhui Zhang , Vikramjeet Singh , Prasenjit Kabi , Wei Huang , Simrandeep Bahal , Ioannis Papakonstantinou , Manish K. Tiwari","doi":"10.1016/j.nantod.2025.102673","DOIUrl":"10.1016/j.nantod.2025.102673","url":null,"abstract":"<div><div>Inhibiting ice formation is important in many applications as well as for tackling the global energy crisis and natural disasters. Most passive icephobic surfaces lose the icephobicity in extremely cold environments due to heat loss and inevitable heterogeneous nucleation. Here, we report a rational reticular-chemistry-engineered photothermal superhydrophobic coating to address this challenge. First, hydrophobic ∼ 20-nm metal−organic framework (MOF) nanoparticles are synthesized and dispersed in a self-healing polydimethyl siloxane (PDMS) to obtain a coating which achieves superhydrophobicity, low ice adhesion, and optical transparency. The transparency results from minimal light scattering due to an all-nanoscale hierarchy of roughness (nanohierarchy), i.e. a combination of nanoparticle or their cluster (∼100 nm-scale) and the sub-nm MOF pores. Next, we grow MOF on carbon nanotubes (CNTs) for a synergistic combination of thermal insulation (heat localisation) and photothermal trapping, while sub-nm MOF pores are expected to result in an interfacial nanoconfinement effect. Non-equilibrium molecular dynamics simulation and thermal conductivity measurements are used to understand the energy localisation and trapping, and ice nucleation experiments demonstrate the exceptional inhibition of ice nucleation and all-day extreme icephobicity. These MOF/CNT hybrid particles are dispersed in the self-healing PDMS to obtain sprayable coatings with excellent anti-icing and built-in mechanical damage tolerance featuring room-temperature healing capability. Strikingly, supercooled droplets on these surfaces at ∼−40 °C and ∼30 % relative humidity evaporated fully before freezing. The reticular photothermal traps may offer a promising strategy to obtain damage tolerant icephobic surfaces delaying freezing nearly to the homogeneous nucleation temperatures.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"62 ","pages":"Article 102673"},"PeriodicalIF":13.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dopamine-evolved hollow mesoporous nanospheres anchoring Mn-Cu dual single-atoms for NIR-II reinforced catalytic therapy

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-17 DOI: 10.1016/j.nantod.2025.102674

Jun Wang , Shuang Liu , Jiating Xu , Qiang Wang , Chunsheng Li , Jin Ye , Yong Lu , Yuchi Wang , Jun Cao , Chaorong Li , Piaoping Yang , Jun Lin

Single-atom nanozymes (SAzymes) have emerged as promising candidates for tumor catalytic therapy. However, the challenge of a single catalytic site managing multiple catalytic reactions and intermediates restricts further enhancement of catalytic activity. Herein, we designed and synthesized a self-reinforcing nanocatalyst (termed CaO₂@P-DAzyme), featuring dual metal active sites embedded on N-doped hollow mesoporous carbon spheres, loaded with CaO₂ and modified with polyethylene glycol, to achieve intrinsic triple enzyme-like (peroxidase, catalase, and oxidase) activity for tumor catalytic therapy. Density functional theory calculations revealed that the increased electron density around the Mn atom, attributed to the introduction of Cu, imparts CaO₂@P-DAzyme with a minimal H₂O₂ adsorption energy (-0.118 eV), resulting in a higher V_max (2.37 × 10⁻⁷ M s⁻¹) and lower K_m (2.57 mM) compared to SAzyme-Cu (V_max = 1.45 × 10⁻⁷ M s⁻¹, K_m = 6.57 mM) and SAzyme-Mn (V_max = 1.82 ×10⁻⁷ M s⁻¹, K_m = 4.46 mM). Additionally, the hollow mesoporous structure enhances the exposure of active sites, improves H₂O₂ and O₂ adsorption, and allows CaO₂ loading to facilitate H₂O₂ self-supplementation and hypoxia relief, further amplifying the triple enzyme-like activities of CaO₂@P-DAzyme. Moreover, the high photothermal conversion efficiency (51.95 %) of CaO₂@P-DAzyme in the near-infrared-II region (NIR-II) window induced photothermal therapy (PTT) to augment the catalytic efficiency of the dual metal active sites. Overall, CaO₂@P-DAzyme represents a promising approach for NIR-II-triggered and self-reinforcing PTT-catalytic therapy, offering a viable strategy for designing diverse SAzymes with enhanced catalytic activities for cancer therapy.

{"title":"Dopamine-evolved hollow mesoporous nanospheres anchoring Mn-Cu dual single-atoms for NIR-II reinforced catalytic therapy","authors":"Jun Wang , Shuang Liu , Jiating Xu , Qiang Wang , Chunsheng Li , Jin Ye , Yong Lu , Yuchi Wang , Jun Cao , Chaorong Li , Piaoping Yang , Jun Lin","doi":"10.1016/j.nantod.2025.102674","DOIUrl":"10.1016/j.nantod.2025.102674","url":null,"abstract":"<div><div>Single-atom nanozymes (SAzymes) have emerged as promising candidates for tumor catalytic therapy. However, the challenge of a single catalytic site managing multiple catalytic reactions and intermediates restricts further enhancement of catalytic activity. Herein, we designed and synthesized a self-reinforcing nanocatalyst (termed CaO<sub>2</sub>@P-DAzyme), featuring dual metal active sites embedded on N-doped hollow mesoporous carbon spheres, loaded with CaO<sub>2</sub> and modified with polyethylene glycol, to achieve intrinsic triple enzyme-like (peroxidase, catalase, and oxidase) activity for tumor catalytic therapy. Density functional theory calculations revealed that the increased electron density around the Mn atom, attributed to the introduction of Cu, imparts CaO<sub>2</sub>@P-DAzyme with a minimal H<sub>2</sub>O<sub>2</sub> adsorption energy (-0.118 eV), resulting in a higher <em>V</em><sub>max</sub> (2.37 × 10<sup>−7</sup> M s<sup>−1</sup>) and lower <em>K</em><sub>m</sub> (2.57 mM) compared to SAzyme-Cu (<em>V</em><sub>max</sub> = 1.45 × 10<sup>−7</sup> M s<sup>−1</sup>, <em>K</em><sub>m</sub> = 6.57 mM) and SAzyme-Mn (<em>V</em><sub>max</sub> = 1.82 ×10<sup>−7</sup> M s<sup>−1</sup>, <em>K</em><sub>m</sub> = 4.46 mM). Additionally, the hollow mesoporous structure enhances the exposure of active sites, improves H<sub>2</sub>O<sub>2</sub> and O<sub>2</sub> adsorption, and allows CaO<sub>2</sub> loading to facilitate H<sub>2</sub>O<sub>2</sub> self-supplementation and hypoxia relief, further amplifying the triple enzyme-like activities of CaO<sub>2</sub>@P-DAzyme. Moreover, the high photothermal conversion efficiency (51.95 %) of CaO<sub>2</sub>@P-DAzyme in the near-infrared-II region (NIR-II) window induced photothermal therapy (PTT) to augment the catalytic efficiency of the dual metal active sites. Overall, CaO<sub>2</sub>@P-DAzyme represents a promising approach for NIR-II-triggered and self-reinforcing PTT-catalytic therapy, offering a viable strategy for designing diverse SAzymes with enhanced catalytic activities for cancer therapy.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"62 ","pages":"Article 102674"},"PeriodicalIF":13.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143428095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Orally administered hydrogel containing polyphenol@halloysite clay for probiotic delivery and treatment of inflammatory bowel disease

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-17 DOI: 10.1016/j.nantod.2025.102669

Xiangyu Chen , Yue Feng , Di Zhang , Shuiqing Zhou , Xinshuo Liu , Binghong Luo , Changren Zhou , Mingxian Liu

Oral medication treatment for inflammatory bowel disease (IBD) is often hindered by challenges such as low drug accumulation rates, limited penetration of mucus barriers, and suboptimal therapeutic efficacy. Here, we engineer a probiotic delivery platform (denominated as MHBSA) based on halloysite clay nanotubes (HNTs) to eliminate reactive oxygen species (ROS) and modulate the dysregulated gut microbiota for targeted treatment of IBD. HNTs are functionalized with the excellent adhesion activity and metal coordination ability of epigallocatechin gallate (MPN@HNTs), which are then incorporated into alginate microspheres to load probiotics. The alginate microspheres exhibit controlled release responsive to the intestinal microenvironment. MPN@HNTs is targeted to the inflamed colon sites through electrostatic interactions, and the rod-like microstructure of HNTs prolongs its retention time on the mucosa and enhances accumulation. MPN@HNTs not only reduces aberrantly activated immune responses by eliminating ROS but also improves the resistance of probiotics to oxidative stress. Surprisingly, upon oral administration, MHBSA modulates the gut microbiota, including restoring diversity and enhancing the abundance of short-chain fatty acid-related bacteria. Overall, the pH-responsive oral formulation containing medicinal clay and probiotics is a promising approach for IBD treatment.

{"title":"Orally administered hydrogel containing polyphenol@halloysite clay for probiotic delivery and treatment of inflammatory bowel disease","authors":"Xiangyu Chen , Yue Feng , Di Zhang , Shuiqing Zhou , Xinshuo Liu , Binghong Luo , Changren Zhou , Mingxian Liu","doi":"10.1016/j.nantod.2025.102669","DOIUrl":"10.1016/j.nantod.2025.102669","url":null,"abstract":"<div><div>Oral medication treatment for inflammatory bowel disease (IBD) is often hindered by challenges such as low drug accumulation rates, limited penetration of mucus barriers, and suboptimal therapeutic efficacy. Here, we engineer a probiotic delivery platform (denominated as MHBSA) based on halloysite clay nanotubes (HNTs) to eliminate reactive oxygen species (ROS) and modulate the dysregulated gut microbiota for targeted treatment of IBD. HNTs are functionalized with the excellent adhesion activity and metal coordination ability of epigallocatechin gallate (MPN@HNTs), which are then incorporated into alginate microspheres to load probiotics. The alginate microspheres exhibit controlled release responsive to the intestinal microenvironment. MPN@HNTs is targeted to the inflamed colon sites through electrostatic interactions, and the rod-like microstructure of HNTs prolongs its retention time on the mucosa and enhances accumulation. MPN@HNTs not only reduces aberrantly activated immune responses by eliminating ROS but also improves the resistance of probiotics to oxidative stress. Surprisingly, upon oral administration, MHBSA modulates the gut microbiota, including restoring diversity and enhancing the abundance of short-chain fatty acid-related bacteria. Overall, the pH-responsive oral formulation containing medicinal clay and probiotics is a promising approach for IBD treatment.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"62 ","pages":"Article 102669"},"PeriodicalIF":13.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Maintaining gut microbiota micro-environment homeostasis via silver-nanocubes for ameliorating estrogen deficiency-induced osteoporosis

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-17 DOI: 10.1016/j.nantod.2025.102671

Chuan Yang , Zihan Deng , Tingwen Xiang , Jiulin Tan , Zhiguo Ling , Dong Sun , Shiyu Xiao , Xiaohua Wang , Yong Tang , Jie Zhang , Chengmin Zhang , Ce Dou , Fei Luo , Yueqi Chen

Osteoporosis (OP) is a prevalent bone disorder characterized by decreased bone density and increased fracture risk, particularly affecting postmenopausal women. Recent research has revealed that gut microbiota plays a crucial role in OP progression, which emphasizes the concept of the “gut-bone axis.” Dysbiosis, or an imbalance in gut microbiota, contributes to bone loss by promoting systemic inflammation, impairing nutrient absorption, and altering immune responses. Silver nanocubes (AgNC), due to their anti-inflammatory, anti-angiogenic, and gut microbiota-regulating abilities, show promising therapeutic effects on inflammatory conditions such as rheumatoid arthritis (RA). However, the protective effects of AgNC on the progression of OP remain unclear. Here, we found that AgNC alleviated OP progression by altering the structure and composition of gut microbiota, particularly by increasing the abundance of beneficial bacteria, notably the genera Lactobacillus and Bifidobacterium. These probiotics play a crucial role in maintaining bone health by enhancing gut integrity, reducing inflammation, and promoting immune homeostasis. Specifically, AgNC treatment improved gut barrier function by upregulating tight junction proteins such as Claudin-1 and ZO-1, thereby reducing the translocation of pro-inflammatory molecules. Furthermore, AgNC modulated the immune environment by increasing the population of Treg cells and decreasing Th17 cells in the bone marrow, thus maintaining the Th17/Treg balance. This shift leaded to reduced release of inflammatory cytokines, including CXCL1, IL-23p19, IL-1β, and MCP-1, contributing to the preservation of bone mass. Collectively, these findings suggested that AgNC mitigated OP in a gut microbiota-dependent manner, offering a novel approach for OP treatment by targeting the gut-bone axis.

{"title":"Maintaining gut microbiota micro-environment homeostasis via silver-nanocubes for ameliorating estrogen deficiency-induced osteoporosis","authors":"Chuan Yang , Zihan Deng , Tingwen Xiang , Jiulin Tan , Zhiguo Ling , Dong Sun , Shiyu Xiao , Xiaohua Wang , Yong Tang , Jie Zhang , Chengmin Zhang , Ce Dou , Fei Luo , Yueqi Chen","doi":"10.1016/j.nantod.2025.102671","DOIUrl":"10.1016/j.nantod.2025.102671","url":null,"abstract":"<div><div>Osteoporosis (OP) is a prevalent bone disorder characterized by decreased bone density and increased fracture risk, particularly affecting postmenopausal women. Recent research has revealed that gut microbiota plays a crucial role in OP progression, which emphasizes the concept of the “gut-bone axis.” Dysbiosis, or an imbalance in gut microbiota, contributes to bone loss by promoting systemic inflammation, impairing nutrient absorption, and altering immune responses. Silver nanocubes (AgNC), due to their anti-inflammatory, anti-angiogenic, and gut microbiota-regulating abilities, show promising therapeutic effects on inflammatory conditions such as rheumatoid arthritis (RA). However, the protective effects of AgNC on the progression of OP remain unclear. Here, we found that AgNC alleviated OP progression by altering the structure and composition of gut microbiota, particularly by increasing the abundance of beneficial bacteria, notably the genera Lactobacillus and Bifidobacterium. These probiotics play a crucial role in maintaining bone health by enhancing gut integrity, reducing inflammation, and promoting immune homeostasis. Specifically, AgNC treatment improved gut barrier function by upregulating tight junction proteins such as Claudin-1 and ZO-1, thereby reducing the translocation of pro-inflammatory molecules. Furthermore, AgNC modulated the immune environment by increasing the population of Treg cells and decreasing Th17 cells in the bone marrow, thus maintaining the Th17/Treg balance. This shift leaded to reduced release of inflammatory cytokines, including CXCL1, IL-23p19, IL-1β, and MCP-1, contributing to the preservation of bone mass. Collectively, these findings suggested that AgNC mitigated OP in a gut microbiota-dependent manner, offering a novel approach for OP treatment by targeting the gut-bone axis.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"62 ","pages":"Article 102671"},"PeriodicalIF":13.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143428094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular sieve redefines SPR sensible range for “win-win” dual functions to enhance the sensitization and anti-fouling

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-15 DOI: 10.1016/j.nantod.2025.102670

Yangyang Zhou , Jingyao Wu , Wenbo Cui , Yindian Wang , Hezhen Liu , Kwangnak Koh , Hongxia Chen

The precise measurement of trace levels of small molecules in complex environments faces great challenges. The inherent limitation of the limited sensible range of surface plasmon resonance (SPR) is ingeniously leveraged in this work. Zeolite imidazolate frameworks-8 (ZIF8) as a sieve-induced antifouling layer, with gold nanobipyramids (AuNBPs) encapsulated within ZIF8 serving as the sensitizing material for simultaneous antifouling and sensitization. The electromagnetic field at the interface is modeled and simulated using the finite-difference time-domain (FDTD) method to ensure the proper match between the perceptible range and the shell layer thickness. The kinetic size of the molecules is calculated using multifunctional wavefunction analysis to ensure the pore size of ZIF8 is matched to the size of the target substance. The Grand Canonical Monte Carlo (GCMC) method simulated the adsorption of molecules with different properties in ZIF8, ensuring that the target molecule would pass through the pores into the effective sensing range, while impurities would be sieved out for sensitive and specific detection. This theoretical simulation and experimental design strategy, based on AuNBPs@ZIF8-modified integrated sensors, shows significant potential for application.

{"title":"Molecular sieve redefines SPR sensible range for “win-win” dual functions to enhance the sensitization and anti-fouling","authors":"Yangyang Zhou , Jingyao Wu , Wenbo Cui , Yindian Wang , Hezhen Liu , Kwangnak Koh , Hongxia Chen","doi":"10.1016/j.nantod.2025.102670","DOIUrl":"10.1016/j.nantod.2025.102670","url":null,"abstract":"<div><div>The precise measurement of trace levels of small molecules in complex environments faces great challenges. The inherent limitation of the limited sensible range of surface plasmon resonance (SPR) is ingeniously leveraged in this work. Zeolite imidazolate frameworks-8 (ZIF8) as a sieve-induced antifouling layer, with gold nanobipyramids (AuNBPs) encapsulated within ZIF8 serving as the sensitizing material for simultaneous antifouling and sensitization. The electromagnetic field at the interface is modeled and simulated using the finite-difference time-domain (FDTD) method to ensure the proper match between the perceptible range and the shell layer thickness. The kinetic size of the molecules is calculated using multifunctional wavefunction analysis to ensure the pore size of ZIF8 is matched to the size of the target substance. The Grand Canonical Monte Carlo (GCMC) method simulated the adsorption of molecules with different properties in ZIF8, ensuring that the target molecule would pass through the pores into the effective sensing range, while impurities would be sieved out for sensitive and specific detection. This theoretical simulation and experimental design strategy, based on AuNBPs@ZIF8-modified integrated sensors, shows significant potential for application.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"61 ","pages":"Article 102670"},"PeriodicalIF":13.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Defect engineering to modulate polarization and electronic structure for efficient piezocatalytic therapy

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-15 DOI: 10.1016/j.nantod.2025.102666

Quan Guo, Juan Guo, Qingyuan Wu, Shanshan Li, Jie Wang, Huiyu Liu

Ultrasound (US)-mediated piezocatalytic therapy (PCT) is a non-invasive therapeutic strategy that relies on the generation of reactive oxygen species (ROS) by activated piezoelectric piezocatalysts to eradicate tumors. Despite satisfactory results, the inadequate piezoelectric response, low electron-hole separation efficiency, and incomplete mechanistic understanding have limited the development of piezoelectric piezocatalysts. Herein, we report structure defect UiO-66 nanoparticles (D-UiO-66 NPs) as piezocatalysts to improve their piezoelectric property for cancer therapy. D-UiO-66 NPs have a more inhomogeneous charge distribution, which exhibited stronger polarization under US irradiation, thus improving the piezoelectric responsive. Importantly, the defect structure of D-UiO-66 NPs narrows the band gap, suppresses the electron-hole complexation and accelerates carrier migration, which in turn enhanced ROS generation. This combined therapeutic strategy demonstrates excellent tumors suppression and good biocompatibility both in vitro and in vivo. Our findings reveal synergistic potential of D-UiO-66 NPs and US can be effectively utilized in tumor therapy, offering a promising new perspective for investigating the underlying mechanisms of piezoelectric catalysis.

{"title":"Defect engineering to modulate polarization and electronic structure for efficient piezocatalytic therapy","authors":"Quan Guo, Juan Guo, Qingyuan Wu, Shanshan Li, Jie Wang, Huiyu Liu","doi":"10.1016/j.nantod.2025.102666","DOIUrl":"10.1016/j.nantod.2025.102666","url":null,"abstract":"<div><div>Ultrasound (US)-mediated piezocatalytic therapy (PCT) is a non-invasive therapeutic strategy that relies on the generation of reactive oxygen species (ROS) by activated piezoelectric piezocatalysts to eradicate tumors. Despite satisfactory results, the inadequate piezoelectric response, low electron-hole separation efficiency, and incomplete mechanistic understanding have limited the development of piezoelectric piezocatalysts. Herein, we report structure defect UiO-66 nanoparticles (D-UiO-66 NPs) as piezocatalysts to improve their piezoelectric property for cancer therapy. D-UiO-66 NPs have a more inhomogeneous charge distribution, which exhibited stronger polarization under US irradiation, thus improving the piezoelectric responsive. Importantly, the defect structure of D-UiO-66 NPs narrows the band gap, suppresses the electron-hole complexation and accelerates carrier migration, which in turn enhanced ROS generation. This combined therapeutic strategy demonstrates excellent tumors suppression and good biocompatibility both in vitro and in vivo. Our findings reveal synergistic potential of D-UiO-66 NPs and US can be effectively utilized in tumor therapy, offering a promising new perspective for investigating the underlying mechanisms of piezoelectric catalysis.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"61 ","pages":"Article 102666"},"PeriodicalIF":13.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

cGAS-STING-activating nanoreactors with tumor-localized thrombosis- and lipid peroxidation-inducing capacity for combination cancer enzymes and immunotherapy

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-15 DOI: 10.1016/j.nantod.2025.102672

Chunjie Wang , Ziliang Dong , Yu Hao , Yujie Zhu , Minming Chen , Yifan Yan , Juxin Gao , Shuai Zhang , Hengze Ding , Jun Zheng , Zhuang Liu , Liangzhu Feng

The realization of tumor infarction therapy through the induction of tumor-localized thrombosis is an appealing cancer treatment strategy, but its therapeutic potency is severely hindered by posttreatment tumor relapse, which mainly results from incomplete intravascular thrombosis. Herein, a pH-responsive nanoreactor (coined as TLCaP₂ NRs) is designed by enveloping thrombin and lipoxygenase within poly(ethylene glycol)-b-poly(glutamic acid) copolymeric micelles through the biomineralization growth of calcium phosphate. Thrombin is adopted to occupy tumor blood vessels through inducing intravascular blood clots, the polyunsaturated fatty acids of which are synergistically converted to cytotoxic lipid radicals by lipoxygenase and the released hemoglobin to induce ferroptotic cancer cell death. Upon tumor accumulation, TLCaP₂ NRs could inhibit the growth of both CT26 and H22 tumors in mice through the enzymatic promotion of tumor-localized intravascular thrombosis and lipid peroxidation. Moreover, via the doping of Mn²⁺, which can activate the cyclic GMP-AMP synthase-stimulator of interferon genes pathway, the yielded TLCaMnP₂ NRs showed potent tumor suppression efficacy through the enzymatic induction of cancer cell death and the elicitation of antitumor immunity. This work highlights an ingenious strategy to prepare immunogenic nanoreactors via a biomineralization process for the enzymatic induction of intravascular thrombosis and lipid peroxidation and the priming of antitumor immunity.

{"title":"cGAS-STING-activating nanoreactors with tumor-localized thrombosis- and lipid peroxidation-inducing capacity for combination cancer enzymes and immunotherapy","authors":"Chunjie Wang , Ziliang Dong , Yu Hao , Yujie Zhu , Minming Chen , Yifan Yan , Juxin Gao , Shuai Zhang , Hengze Ding , Jun Zheng , Zhuang Liu , Liangzhu Feng","doi":"10.1016/j.nantod.2025.102672","DOIUrl":"10.1016/j.nantod.2025.102672","url":null,"abstract":"<div><div>The realization of tumor infarction therapy through the induction of tumor-localized thrombosis is an appealing cancer treatment strategy, but its therapeutic potency is severely hindered by posttreatment tumor relapse, which mainly results from incomplete intravascular thrombosis. Herein, a pH-responsive nanoreactor (coined as TLCaP<sub>2</sub> NRs) is designed by enveloping thrombin and lipoxygenase within poly(ethylene glycol)-b-poly(glutamic acid) copolymeric micelles through the biomineralization growth of calcium phosphate. Thrombin is adopted to occupy tumor blood vessels through inducing intravascular blood clots, the polyunsaturated fatty acids of which are synergistically converted to cytotoxic lipid radicals by lipoxygenase and the released hemoglobin to induce ferroptotic cancer cell death. Upon tumor accumulation, TLCaP<sub>2</sub> NRs could inhibit the growth of both CT26 and H22 tumors in mice through the enzymatic promotion of tumor-localized intravascular thrombosis and lipid peroxidation. Moreover, via the doping of Mn<sup>2+</sup>, which can activate the cyclic GMP-AMP synthase-stimulator of interferon genes pathway, the yielded TLCaMnP<sub>2</sub> NRs showed potent tumor suppression efficacy through the enzymatic induction of cancer cell death and the elicitation of antitumor immunity. This work highlights an ingenious strategy to prepare immunogenic nanoreactors via a biomineralization process for the enzymatic induction of intravascular thrombosis and lipid peroxidation and the priming of antitumor immunity.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"61 ","pages":"Article 102672"},"PeriodicalIF":13.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Geometric-aware deep learning enables discovery of bifunctional ligand-based liposomes for tumor targeting therapy

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-13 DOI: 10.1016/j.nantod.2025.102668

Jiaxuan Xia , Zicheng Gan , Jixian Zhang , Meichen Dong , Shengyao Liu , Bangchun Cui , Pengcheng Guo , Zhiqing Pang , Tun Lu , Ning Gu , Defang Ouyang , Chengtao Li , Shuangjia Zheng , Jianxin Wang

Limited tumor targeting capacity of conventional liposomes compromises their clinical outcomes in tumor therapy. Although ligand-based liposomes show promise for improved tumor targeting efficiency, their transition to clinical use is impeded by the complexity of necessary ligand modifications on liposomal membranes. Certain bifunctional natural products, offering both liposomal membrane-regulating and tumor-targeting ligands properties, have shown tumor targeting potential after prepared into liposomes without the need for ligands synthesis, but their discovery has been hindered by the constraints of conventional screening methods. Here, we propose combining deep learning with wet experimentation for rapid discovery of new bifunctional ligands. Utilizing pre-trained geometric-aware neural networks, we simultaneously modeled predictions for membrane-regulating and glucose transporter 1-ligand functions. The trained models identified nine top candidates from > 300,000 natural products, six of which demonstrated the anticipated dual functionality upon experimental validation. The lead liposome, Ilexgenin A (Ile)-based liposome, demonstrated superior tumor-targeting and anti-tumor effect compared to the existing bifunctional ligand-based liposome. Further analysis elucidated Ile's mechanisms in immunoregulation and chemotherapy sensitization. This approach signifies the potential of deep learning in design of intelligent and targeting drug delivery systems.

{"title":"Geometric-aware deep learning enables discovery of bifunctional ligand-based liposomes for tumor targeting therapy","authors":"Jiaxuan Xia , Zicheng Gan , Jixian Zhang , Meichen Dong , Shengyao Liu , Bangchun Cui , Pengcheng Guo , Zhiqing Pang , Tun Lu , Ning Gu , Defang Ouyang , Chengtao Li , Shuangjia Zheng , Jianxin Wang","doi":"10.1016/j.nantod.2025.102668","DOIUrl":"10.1016/j.nantod.2025.102668","url":null,"abstract":"<div><div>Limited tumor targeting capacity of conventional liposomes compromises their clinical outcomes in tumor therapy. Although ligand-based liposomes show promise for improved tumor targeting efficiency, their transition to clinical use is impeded by the complexity of necessary ligand modifications on liposomal membranes. Certain bifunctional natural products, offering both liposomal membrane-regulating and tumor-targeting ligands properties, have shown tumor targeting potential after prepared into liposomes without the need for ligands synthesis, but their discovery has been hindered by the constraints of conventional screening methods. Here, we propose combining deep learning with wet experimentation for rapid discovery of new bifunctional ligands. Utilizing pre-trained geometric-aware neural networks, we simultaneously modeled predictions for membrane-regulating and glucose transporter 1-ligand functions. The trained models identified nine top candidates from > 300,000 natural products, six of which demonstrated the anticipated dual functionality upon experimental validation. The lead liposome, Ilexgenin A (Ile)-based liposome, demonstrated superior tumor-targeting and anti-tumor effect compared to the existing bifunctional ligand-based liposome. Further analysis elucidated Ile's mechanisms in immunoregulation and chemotherapy sensitization. This approach signifies the potential of deep learning in design of intelligent and targeting drug delivery systems.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"61 ","pages":"Article 102668"},"PeriodicalIF":13.2,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143396110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Progress in generating power coupled with atmospheric water harvesting

IF 13.2 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Today

Pub Date : 2025-02-13 DOI: 10.1016/j.nantod.2025.102661

Xionggang Chen , Chenggong Xu , Tianqi Wei , Zhiwei Chen , Yifan Liu , JinXia Huang , Zhiguang Guo

The global scarcity of freshwater and energy, which is unevenly distributed across time and space, represents a significant challenge to sustainable development. Atmospheric water harvesting, a process that harvests moisture from the atmosphere, holds significant potential for alleviating freshwater shortages, while the energy generated during this process may also contribute to mitigating energy crises. The integration of energy harvesting and conversion with atmospheric water harvesting has increasingly attracted the attention of researchers. This review explores the potential for electricity generation through fog and absorption-based atmospheric water harvesting, while categorizing and summarizing the latest advancements in power generation technologies and mechanisms. Furthermore, it discusses the progress in research on the simultaneous harvesting of atmospheric water and electricity generation in detail. Finally, the challenges and opportunities in developing systems of atmospheric water harvesting and electricity conversion are presented. Strategies, such as the development of multifunctional integrated systems, are proposed to enhance the efficiency of simultaneous atmospheric water harvesting and electricity generation and to promote their practical applications.

{"title":"Progress in generating power coupled with atmospheric water harvesting","authors":"Xionggang Chen , Chenggong Xu , Tianqi Wei , Zhiwei Chen , Yifan Liu , JinXia Huang , Zhiguang Guo","doi":"10.1016/j.nantod.2025.102661","DOIUrl":"10.1016/j.nantod.2025.102661","url":null,"abstract":"<div><div>The global scarcity of freshwater and energy, which is unevenly distributed across time and space, represents a significant challenge to sustainable development. Atmospheric water harvesting, a process that harvests moisture from the atmosphere, holds significant potential for alleviating freshwater shortages, while the energy generated during this process may also contribute to mitigating energy crises. The integration of energy harvesting and conversion with atmospheric water harvesting has increasingly attracted the attention of researchers. This review explores the potential for electricity generation through fog and absorption-based atmospheric water harvesting, while categorizing and summarizing the latest advancements in power generation technologies and mechanisms. Furthermore, it discusses the progress in research on the simultaneous harvesting of atmospheric water and electricity generation in detail. Finally, the challenges and opportunities in developing systems of atmospheric water harvesting and electricity conversion are presented. Strategies, such as the development of multifunctional integrated systems, are proposed to enhance the efficiency of simultaneous atmospheric water harvesting and electricity generation and to promote their practical applications.</div></div>","PeriodicalId":395,"journal":{"name":"Nano Today","volume":"61 ","pages":"Article 102661"},"PeriodicalIF":13.2,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143396120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nano Today最新文献