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Nanoparticles Alter Locust Development and Behaviour
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr04993d
Preetam Kumar Sharma, Liya Wei, Atul Thakur, Jialing Pan, Chang Chen, Le Kang, Nikhil Bhalla, Navneet Soin
Locusts, among the world’s most destructive migratory pests, threaten food security by devastating crops and pastures. Conventional chemical insecticides pose environmental and health risks, highlighting the need for sustainable alternatives. We demonstrate the efficacy of nickel ferrite (NiFe2O4) nanoparticles (36 10 nm), as a safe, cost-effective insecticide for locust management. These NiFe2O4 nanoparticles disrupt locust development by interfering by imparing blastokinesis and growth, thus resulting in the malformed nymphs with compacted abdomens and disorganised body structures - primarily arising from significantly lower heart rates (30 bpm for control vs 20 bpm for embroys exposed to NiFe2O4) and changes to end diastolic and end-systolic dimensions. Adult locusts retained ingested nanoparticles in their coelomic cavities, which could potentially be used as traceable markers for swarm tracking. Additionally, the nanoparticles were recoverable from soil with over 90% effeciency, minimising potential ecological impact. Our research therefore offers an innovative nanotechnology-based solution for sustainable and effective locust management.
{"title":"Nanoparticles Alter Locust Development and Behaviour","authors":"Preetam Kumar Sharma, Liya Wei, Atul Thakur, Jialing Pan, Chang Chen, Le Kang, Nikhil Bhalla, Navneet Soin","doi":"10.1039/d4nr04993d","DOIUrl":"https://doi.org/10.1039/d4nr04993d","url":null,"abstract":"Locusts, among the world’s most destructive migratory pests, threaten food security by devastating crops and pastures. Conventional chemical insecticides pose environmental and health risks, highlighting the need for sustainable alternatives. We demonstrate the efficacy of nickel ferrite (NiFe2O4) nanoparticles (36 10 nm), as a safe, cost-effective insecticide for locust management. These NiFe2O4 nanoparticles disrupt locust development by interfering by imparing blastokinesis and growth, thus resulting in the malformed nymphs with compacted abdomens and disorganised body structures - primarily arising from significantly lower heart rates (30 bpm for control vs 20 bpm for embroys exposed to NiFe2O4) and changes to end diastolic and end-systolic dimensions. Adult locusts retained ingested nanoparticles in their coelomic cavities, which could potentially be used as traceable markers for swarm tracking. Additionally, the nanoparticles were recoverable from soil with over 90% effeciency, minimising potential ecological impact. Our research therefore offers an innovative nanotechnology-based solution for sustainable and effective locust management.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"13 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Elucidation of the nano-sized molecular structure of methylaluminoxane using synchrotron X-ray total scattering
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr05188b
Toru Wada, Toshiaki Taniike
Methylaluminoxane (MAO) is commonly employed to activate molecular pre-catalysts in polyolefin synthesis, both industrially and in the laboratory. Despite the extensive use of this compound, the ambiguity related to its structure hampers the understanding of its structure–function relationship. The current study therefore employed synchrotron X-ray total scattering to elucidate the nano-sized molecular structure of MAO. The MAO samples, which were prepared using various synthetic protocols, exhibited consistent X-ray scattering patterns and atomic pair distribution function curves, indicating similar molecular structures. However, the scattering intensity in the small-angle region revealed differences in the higher-order structures. A fitting study performed using 172 molecular models showed that small molecule and tube models were inadequate to reproduce the experimental results, whereas cage and sheet models provided comparably better fits. The sheet model was found to be consistent with the observed molecular weight and the molecular weight distribution, in addition to accounting for the intensity in the small-angle scattering region. These results align with recent crystallographic findings reported in Science, where a stacked sheet model successfully reproduced an experimental X-ray diffraction pattern. Ultimately, determination of the structural motif of MAO is expected to be beneficial for systematic research and development using this compound.
{"title":"Elucidation of the nano-sized molecular structure of methylaluminoxane using synchrotron X-ray total scattering","authors":"Toru Wada, Toshiaki Taniike","doi":"10.1039/d4nr05188b","DOIUrl":"https://doi.org/10.1039/d4nr05188b","url":null,"abstract":"Methylaluminoxane (MAO) is commonly employed to activate molecular pre-catalysts in polyolefin synthesis, both industrially and in the laboratory. Despite the extensive use of this compound, the ambiguity related to its structure hampers the understanding of its structure–function relationship. The current study therefore employed synchrotron X-ray total scattering to elucidate the nano-sized molecular structure of MAO. The MAO samples, which were prepared using various synthetic protocols, exhibited consistent X-ray scattering patterns and atomic pair distribution function curves, indicating similar molecular structures. However, the scattering intensity in the small-angle region revealed differences in the higher-order structures. A fitting study performed using 172 molecular models showed that small molecule and tube models were inadequate to reproduce the experimental results, whereas cage and sheet models provided comparably better fits. The sheet model was found to be consistent with the observed molecular weight and the molecular weight distribution, in addition to accounting for the intensity in the small-angle scattering region. These results align with recent crystallographic findings reported in <em>Science</em>, where a stacked sheet model successfully reproduced an experimental X-ray diffraction pattern. Ultimately, determination of the structural motif of MAO is expected to be beneficial for systematic research and development using this compound.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"10 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Nanoassemblies of redox paclitaxel prodrug with natural active ingredient dihydroartemisinin for therapy of breast cancer
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr05418k
Ruicheng Rui, Yi Li, Yiming Liu, Xiaocui Li, Gaochao Zhou, Chunai Zhao, Yang Han
Natural products have attracted attention owing to their multiple antitumor effects, improved chemotherapy sensitivity, and fewer side effects. The combination of natural active ingredients and chemotherapy drugs could be an effective strategy for synergistic antitumor therapy by preserving their activity to inhibit the growth of tumor while reducing the side effects of chemotherapy drugs at relatively low doses. Although the feasibility of the delivery of natural products and chemotherapy drugs has been proven, most current carriers cannot be efficiently loaded, thus leading to a discrepancy in the drug release ratio compared to the predefined loading ratio. In this study, simple nanoassemblies with controllable drug release profiles were constructed to co-deliver paclitaxel (PTX) and dihydroartemisinin (DHA) for synergistic treatment of breast cancer. The nanoassemblies demonstrated a notable capacity for loading efficiency, micro-environmental triggering of drug release, and activation of the homodimeric prodrug at the tumor site, thereby facilitating successful combination therapy. The in vitro and in vivo antitumor effects were synergistically improved by combining DHA and PTX through prodrug modifications and nanoassemblies. Our findings provide a simple and efficient strategy for the development of nanoassemblies combining natural active ingredients with chemotherapeutic drugs.
{"title":"Nanoassemblies of redox paclitaxel prodrug with natural active ingredient dihydroartemisinin for therapy of breast cancer","authors":"Ruicheng Rui, Yi Li, Yiming Liu, Xiaocui Li, Gaochao Zhou, Chunai Zhao, Yang Han","doi":"10.1039/d4nr05418k","DOIUrl":"https://doi.org/10.1039/d4nr05418k","url":null,"abstract":"Natural products have attracted attention owing to their multiple antitumor effects, improved chemotherapy sensitivity, and fewer side effects. The combination of natural active ingredients and chemotherapy drugs could be an effective strategy for synergistic antitumor therapy by preserving their activity to inhibit the growth of tumor while reducing the side effects of chemotherapy drugs at relatively low doses. Although the feasibility of the delivery of natural products and chemotherapy drugs has been proven, most current carriers cannot be efficiently loaded, thus leading to a discrepancy in the drug release ratio compared to the predefined loading ratio. In this study, simple nanoassemblies with controllable drug release profiles were constructed to co-deliver paclitaxel (PTX) and dihydroartemisinin (DHA) for synergistic treatment of breast cancer. The nanoassemblies demonstrated a notable capacity for loading efficiency, micro-environmental triggering of drug release, and activation of the homodimeric prodrug at the tumor site, thereby facilitating successful combination therapy. The in vitro and in vivo antitumor effects were synergistically improved by combining DHA and PTX through prodrug modifications and nanoassemblies. Our findings provide a simple and efficient strategy for the development of nanoassemblies combining natural active ingredients with chemotherapeutic drugs.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"49 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Quantitative Nanometer-Scale Characterization of Densification in Fused Silica via s-SNOM
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr05309e
Ying Yan, Bo Jiang, Qing Mu, Ping Zhou
Fused silica is extensively used across various industries due to its superior properties, but densification can significantly alter its performance. Detecting these changes requires high spatial resolution, which challenges the limits of current testing methods. This study explores the use of scattering-type scanning near-field optical microscopy (s-SNOM) to analyze densification in fused silica. Through a combination of experimental techniques—Atomic force microscopy-based infrared spectroscopy (AFM-IR) and s-SNOM—and computational methods, including first-principles calculations and the finite dipole model (FDM). The findings reveal that near-field phase signals are more accurate than amplitude signals in reflecting changes in densification. Building on these results, a quantitative model for characterizing densification in fused silica is proposed. These findings are compared with those results from the literature and comparison results show good concordance. This study introduces a nanoscale range precise, nondestructive method for assessing densification, offering a novel and reliable approach for characterizing point defects in fused silica.
{"title":"Quantitative Nanometer-Scale Characterization of Densification in Fused Silica via s-SNOM","authors":"Ying Yan, Bo Jiang, Qing Mu, Ping Zhou","doi":"10.1039/d4nr05309e","DOIUrl":"https://doi.org/10.1039/d4nr05309e","url":null,"abstract":"Fused silica is extensively used across various industries due to its superior properties, but densification can significantly alter its performance. Detecting these changes requires high spatial resolution, which challenges the limits of current testing methods. This study explores the use of scattering-type scanning near-field optical microscopy (s-SNOM) to analyze densification in fused silica. Through a combination of experimental techniques—Atomic force microscopy-based infrared spectroscopy (AFM-IR) and s-SNOM—and computational methods, including first-principles calculations and the finite dipole model (FDM). The findings reveal that near-field phase signals are more accurate than amplitude signals in reflecting changes in densification. Building on these results, a quantitative model for characterizing densification in fused silica is proposed. These findings are compared with those results from the literature and comparison results show good concordance. This study introduces a nanoscale range precise, nondestructive method for assessing densification, offering a novel and reliable approach for characterizing point defects in fused silica.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"21 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Multilevel, Solar-Blind, and Thermostable Physical Unclonable Functions Based on Host-Sensitized Luminescence of β-Ga2O3:Dy3+
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr05237d
Dong Zhu, CHUNFENG WANG, Fu-Hang Jiao, Jiujun Xu, Haoran Xu, S. Han, P. J. Cao, Y. X. Zeng, Ming Fang, Wenjun Liu, D. L. Zhu, Youming Lu
Optical physical unclonable functions (PUFs) are powerful tools to combat counterfeiting, owing to their unpredictable preparation processes and unique, identifiable information content. Achieving high entropy and robustness in optical PUFs is essential for practical applications but remains challenging. This study demonstrates a multilevel, solar-blind, and thermostable PUF based on host-sensitized luminescence of trivalent dysprosium (Dy3+) in β-phase gallium oxide (β-Ga2O3). The controllable occupation of Dy3+ in both tetrahedral and octahedral Ga3+ sites of β-Ga2O3 results in heterochromatic optical emission, which affords the resulting PUFs with a multilevel encoding capacity of 44096 at 64×64 pixels. The wide bandgap (~4.6 eV) of β-Ga2O3:Dy3+ confines the PUF response to solar-blind irradiation, encompassing a light spectrum in the range 230–270 nm, which does not overlap with ambient light, ensuring interference-free stimulation and therefore achieving 100% recognition accuracy. Additionally, the high thermal quenching activation energy (0.386 eV) of β-Ga2O3:Dy3+ provides thermal stability, enabling the PUFs to operate from room temperature up to 125 ºC. With near-ideal uniformity, uniqueness, and reproducibility, these PUFs hold considerable promise for practical applications in anticounterfeiting and encryption.
{"title":"Multilevel, Solar-Blind, and Thermostable Physical Unclonable Functions Based on Host-Sensitized Luminescence of β-Ga2O3:Dy3+","authors":"Dong Zhu, CHUNFENG WANG, Fu-Hang Jiao, Jiujun Xu, Haoran Xu, S. Han, P. J. Cao, Y. X. Zeng, Ming Fang, Wenjun Liu, D. L. Zhu, Youming Lu","doi":"10.1039/d4nr05237d","DOIUrl":"https://doi.org/10.1039/d4nr05237d","url":null,"abstract":"Optical physical unclonable functions (PUFs) are powerful tools to combat counterfeiting, owing to their unpredictable preparation processes and unique, identifiable information content. Achieving high entropy and robustness in optical PUFs is essential for practical applications but remains challenging. This study demonstrates a multilevel, solar-blind, and thermostable PUF based on host-sensitized luminescence of trivalent dysprosium (Dy3+) in β-phase gallium oxide (β-Ga2O3). The controllable occupation of Dy3+ in both tetrahedral and octahedral Ga3+ sites of β-Ga2O3 results in heterochromatic optical emission, which affords the resulting PUFs with a multilevel encoding capacity of 44096 at 64×64 pixels. The wide bandgap (~4.6 eV) of β-Ga2O3:Dy3+ confines the PUF response to solar-blind irradiation, encompassing a light spectrum in the range 230–270 nm, which does not overlap with ambient light, ensuring interference-free stimulation and therefore achieving 100% recognition accuracy. Additionally, the high thermal quenching activation energy (0.386 eV) of β-Ga2O3:Dy3+ provides thermal stability, enabling the PUFs to operate from room temperature up to 125 ºC. With near-ideal uniformity, uniqueness, and reproducibility, these PUFs hold considerable promise for practical applications in anticounterfeiting and encryption.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"1 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
One-pot synthesis of long-range aligned nanochannels for Li-ion transfer pathways
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr05111d
Zehan Chen, Isaac Alvarez Moises, Ruth Bruker, He Jia, Shanshan Yan, Yinghui Zhang, Zhenni He, Keijie Zhou, Sorin Melinte, Laurent Rubatat, Klaus Meerholz, Jean-François Gohy
Limited ionic conductivity (σ) of solid polymer electrolytes (SPEs) is a bottleneck for their practical application. Constructing ordered ionic transfer highways is a prospective direction to promote σ. Here, we propose a straightforward one-pot synthesis strategy for the obtention of long-range aligned nanochannels, which is based on the evaporation of the solvent to induce the self-assembly of Pluronic® F127-resol micelles. To obtain SPEs, dicyandiamide (DCD) and LiClO4 are uniformly dispersed in the F127-resol nanochannels. Compared to the random counterpart, the accordingly synthesized ordered SPE significantly improves room-temperature σ by 2 orders of magnitude reaching 1.65 × 10-4 S cm-1 at 20 °C. The FTIR spectra further demonstrate that the best performing sample possesses more Li+ ions coordinated to cyano groups from DCD and less coordinated to ether moieties from F127-resol, further decreasing the activation energy for Li+ mobility since cyano groups have lower binding energy to Li+ than ether ones. Both aligned nanostructures and beneficial coordinating groups synergistically accelerate the ionic transport, contributing to the formation of efficient Li-ion transfer pathways.
{"title":"One-pot synthesis of long-range aligned nanochannels for Li-ion transfer pathways","authors":"Zehan Chen, Isaac Alvarez Moises, Ruth Bruker, He Jia, Shanshan Yan, Yinghui Zhang, Zhenni He, Keijie Zhou, Sorin Melinte, Laurent Rubatat, Klaus Meerholz, Jean-François Gohy","doi":"10.1039/d4nr05111d","DOIUrl":"https://doi.org/10.1039/d4nr05111d","url":null,"abstract":"Limited ionic conductivity (σ) of solid polymer electrolytes (SPEs) is a bottleneck for their practical application. Constructing ordered ionic transfer highways is a prospective direction to promote σ. Here, we propose a straightforward one-pot synthesis strategy for the obtention of long-range aligned nanochannels, which is based on the evaporation of the solvent to induce the self-assembly of Pluronic® F127-resol micelles. To obtain SPEs, dicyandiamide (DCD) and LiClO4 are uniformly dispersed in the F127-resol nanochannels. Compared to the random counterpart, the accordingly synthesized ordered SPE significantly improves room-temperature σ by 2 orders of magnitude reaching 1.65 × 10-4 S cm-1 at 20 °C. The FTIR spectra further demonstrate that the best performing sample possesses more Li+ ions coordinated to cyano groups from DCD and less coordinated to ether moieties from F127-resol, further decreasing the activation energy for Li+ mobility since cyano groups have lower binding energy to Li+ than ether ones. Both aligned nanostructures and beneficial coordinating groups synergistically accelerate the ionic transport, contributing to the formation of efficient Li-ion transfer pathways.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"64 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
The dual-band transmissive polarization conversion metastructure based on the toroidal dipole-assisted EIT effectgins
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d5nr00006h
Li Zeng, Tao Zhang, Haifeng Zhang
Transmissive polarization manipulation devices find broad and consequential utility across domains such as satellite radar and wireless communication. This paper demonstrated a new design concept for a metastructure specifically engineered for polarization conversion (PC), based on the phenomenon of electromagnetically induced transparency (EIT) resulting from the assisted excitation of interference in toroidal dipoles. When subjected to normally incident x-polarized and y-polarized waves, the proposed metastructure can engender two distinct EIT windows of heightened transmission and low loss, achieving maximum transmittance coefficients of 0.94. Then, under 45° linearly polarized wave incidence, leveraging the highly transmissive windows and introducing selective additional phase differences within different unit cells, the proposed metastructure can fulfill the requisite amplitude and phase conditions for achieving linear-to-circular PC in transmission mode. Numerical results substantiate that the proposed metastructure effectively retrieves the desired circularly polarized waves at 0.935 THz and 1.182 THz, yielding axial ratios of 1.22 dB and 1.18 dB, respectively, while maintaining robustness against wide-angle incidence. This innovative design introduces fresh perspectives for transmissive polarization modulation devices, holding significant potential applications across diverse domains including polarization manipulating, optical filtering, multipole electromagnetics, and multifunctional integration.
{"title":"The dual-band transmissive polarization conversion metastructure based on the toroidal dipole-assisted EIT effectgins","authors":"Li Zeng, Tao Zhang, Haifeng Zhang","doi":"10.1039/d5nr00006h","DOIUrl":"https://doi.org/10.1039/d5nr00006h","url":null,"abstract":"Transmissive polarization manipulation devices find broad and consequential utility across domains such as satellite radar and wireless communication. This paper demonstrated a new design concept for a metastructure specifically engineered for polarization conversion (PC), based on the phenomenon of electromagnetically induced transparency (EIT) resulting from the assisted excitation of interference in toroidal dipoles. When subjected to normally incident x-polarized and y-polarized waves, the proposed metastructure can engender two distinct EIT windows of heightened transmission and low loss, achieving maximum transmittance coefficients of 0.94. Then, under 45° linearly polarized wave incidence, leveraging the highly transmissive windows and introducing selective additional phase differences within different unit cells, the proposed metastructure can fulfill the requisite amplitude and phase conditions for achieving linear-to-circular PC in transmission mode. Numerical results substantiate that the proposed metastructure effectively retrieves the desired circularly polarized waves at 0.935 THz and 1.182 THz, yielding axial ratios of 1.22 dB and 1.18 dB, respectively, while maintaining robustness against wide-angle incidence. This innovative design introduces fresh perspectives for transmissive polarization modulation devices, holding significant potential applications across diverse domains including polarization manipulating, optical filtering, multipole electromagnetics, and multifunctional integration.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"28 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Promoting transcellular traversal of the blood–brain barrier by simultaneously improving cellular uptake and accelerating lysosomal escape
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr05134c
Li Zhang, Weibin Li, Zhen Xu, Zhennan Mao, Mengqian Yang, Caixia Wang, Zhihong Liu
The blood–brain barrier (BBB) impedes the transportation of drugs to the brain, thereby constraining the efficacy of treatments for brain diseases. Here, a pH-sensitive nanocarrier coated with a brain metastatic tumor cell membrane (CA-iRGD-CS@M) is designed to enhance drug delivery across the BBB by simultaneously improving cellular uptake and accelerating lysosomal escape. The cell membrane coating can recognize brain microvessel endothelial cells (BMECs) to improve cellular uptake. The pH-sensitive nanocarrier (CA-iRGD-CS) as the core of CA-iRGD-CS@M undergoes charge reversal triggered by the acidic environment of lysosomes, leading to the disruption of the coated cell membrane and further promoting the escape of the detached core from lysosomes into the brain parenchyma. Facilitated by the targeting ligand iRGD, the detached core containing the photothermal agent (CuS) can target the tumor site and fulfill deep penetration, thereby achieving efficient NIR-II photothermal therapy.
{"title":"Promoting transcellular traversal of the blood–brain barrier by simultaneously improving cellular uptake and accelerating lysosomal escape","authors":"Li Zhang, Weibin Li, Zhen Xu, Zhennan Mao, Mengqian Yang, Caixia Wang, Zhihong Liu","doi":"10.1039/d4nr05134c","DOIUrl":"https://doi.org/10.1039/d4nr05134c","url":null,"abstract":"The blood–brain barrier (BBB) impedes the transportation of drugs to the brain, thereby constraining the efficacy of treatments for brain diseases. Here, a pH-sensitive nanocarrier coated with a brain metastatic tumor cell membrane (CA-iRGD-CS@M) is designed to enhance drug delivery across the BBB by simultaneously improving cellular uptake and accelerating lysosomal escape. The cell membrane coating can recognize brain microvessel endothelial cells (BMECs) to improve cellular uptake. The pH-sensitive nanocarrier (CA-iRGD-CS) as the core of CA-iRGD-CS@M undergoes charge reversal triggered by the acidic environment of lysosomes, leading to the disruption of the coated cell membrane and further promoting the escape of the detached core from lysosomes into the brain parenchyma. Facilitated by the targeting ligand iRGD, the detached core containing the photothermal agent (CuS) can target the tumor site and fulfill deep penetration, thereby achieving efficient NIR-II photothermal therapy.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"10 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A Novel Paper Sensor with Modified Aptamer for Accurate Detection of Clinical Cardiac Troponin I
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d5nr00073d
Qing Xie, Danfeng Wu, Qinran Chen, Haiyan Liang, Leyu Wang, Xiaozhong Qiu
Accurate and rapid detection of Cardiac Troponin I (CTnI) is essential for the early diagnosis and timely management of myocardial infarction (MI). However, conventional detection methods relying on antigen-antibody interactions often face challenges such as high costs and lengthy procedures. Novel detection methods based on antigen-aptamer interactions offer a potentially superior alternative. Nevertheless, the performance of antigen-aptamer sensors is typically compromised by the unstable structure of aptamers, resulting in limited sensitivity and inconsistent specificity in CTnI detection. To address these issues, we have developed an innovative aptamer structure to construct a paper-based sensor comprising a paper electrode and a CTnI aptamer detection module. The paper electrode employs PEDOT:PSS to uniformly distribute single-walled carbon nanotubes (SWCNTs) at high concentrations on filter paper. The detection module utilizes modified CTnI aptamers with a continuous (AT)5 sequence in the anchor domain to enhance stable immobilization on SWCNTs without chemical reactions. We discovered that incorporating appropriate 18-atom hexa-ethylene glycol spacers (Sp18) between the protein-capture and anchor domains of the aptamers can improve the sensitivity of the current response for CTnI detection. Through the optimization of annealing temperature and duration, the paper sensor Aps3-CTnI-PS@CP, which integrates (AT)5 and three Sp18 into the aptamer, demonstrated enhanced sensitivity and specificity for CTnI detection. When applied to clinical samples, Aps3-CTnI-PS@CP exhibited a favorable receiver operating characteristic (ROC) curve, with an area under the curve (AUC) of 0.982, a sensitivity of 0.917, and a specificity of 0.945 for CTnI detection. This performance correlates strongly with traditional chemiluminescence immunoassay (CLIA) assays used in clinical settings. The straightforward fabrication process and minimal batch-to-batch variability make Aps3-CTnI-PS@CP a promising candidate for clinical aptamer-based CTnI detection.
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引用次数: 0
Harnessing DFT and Machine Learning for Accurate Optical Gap Prediction in Conjugated Polymers
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1039/d4nr03702b
Bin Liu, Yunrui Yan, Mingjie Liu
Conjugated polymers (CPs), characterized by alternating σ and π bonds, have attracted significant attention for their diverse structures and adjustable electronic properties. However, predicting the optical band gap (Egapexp) of CPs remains challenging. This study presents a rational model that integrates density functional theory (DFT) calculation with a data-driven machine learning (ML) approach to predict the experimentally measured Egapexp of CPs, using 1096 data points. Through alkyl side chain truncation and conjugated backbone extension, the modified oligomers effectively capture the electronic properties of CPs, significantly improving the correlation between the DFT-calculated HOMO-LUMO gap (Egapoligomer) and Egapexp (R2=0.51) compared to the unmodified side-chain-containing monomers (R2=0.15). Moreover, we trained six ML models with two categories of features as input: Egapoligomerto represent the extended backbone and molecular features of unmodified monomers to capture the alkyl-side-chain effect. The best model, XGBoost-2, achieved an R2 of 0.77 and an MAE of 0.065 eV for predicting Egapexp, falling within the experimental error margin of ∼0.1 eV. We further validated XGBoost-2 on a dataset of 227 newly synthesized CPs collected from literature without further retraining. Notably, XGBoost-2 exhibits both excellent interpolation for BT-, BTA-, QA-, DPP-, and TPD-based CPs, and exceptional extrapolation for PDI-, NDI-, DTBT-, BBX-, and Y6-based CPs, which are attributed to the integration of DFT methods with rationally designed oligomer structures. For the first time, we demonstrated a novel and effective strategy combining quantum chemistry calculations with ML modeling for accurate and efficient prediction of experimentally measured fundamental properties of CPs. Our study paves the way for the accelerated design and development of high-performance CPs in photoelectronic applications.
{"title":"Harnessing DFT and Machine Learning for Accurate Optical Gap Prediction in Conjugated Polymers","authors":"Bin Liu, Yunrui Yan, Mingjie Liu","doi":"10.1039/d4nr03702b","DOIUrl":"https://doi.org/10.1039/d4nr03702b","url":null,"abstract":"Conjugated polymers (CPs), characterized by alternating σ and π bonds, have attracted significant attention for their diverse structures and adjustable electronic properties. However, predicting the optical band gap (E<small><sub>gap</sub></small><small><sup>exp</sup></small>) of CPs remains challenging. This study presents a rational model that integrates density functional theory (DFT) calculation with a data-driven machine learning (ML) approach to predict the experimentally measured E<small><sub>gap</sub></small><small><sup>exp</sup></small> of CPs, using 1096 data points. Through alkyl side chain truncation and conjugated backbone extension, the modified oligomers effectively capture the electronic properties of CPs, significantly improving the correlation between the DFT-calculated HOMO-LUMO gap (E<small><sub>gap</sub></small><small><sup>oligomer</sup></small>) and E<small><sub>gap</sub></small><small><sup>exp</sup></small> (R<small><sup>2</sup></small>=0.51) compared to the unmodified side-chain-containing monomers (R<small><sup>2</sup></small>=0.15). Moreover, we trained six ML models with two categories of features as input: E<small><sub>gap</sub></small><small><sup>oligomer</sup></small>to represent the extended backbone and molecular features of unmodified monomers to capture the alkyl-side-chain effect. The best model, XGBoost-2, achieved an R<small><sup>2</sup></small> of 0.77 and an MAE of 0.065 eV for predicting E<small><sub>gap</sub></small><small><sup>exp</sup></small>, falling within the experimental error margin of ∼0.1 eV. We further validated XGBoost-2 on a dataset of 227 newly synthesized CPs collected from literature without further retraining. Notably, XGBoost-2 exhibits both excellent interpolation for BT-, BTA-, QA-, DPP-, and TPD-based CPs, and exceptional extrapolation for PDI-, NDI-, DTBT-, BBX-, and Y6-based CPs, which are attributed to the integration of DFT methods with rationally designed oligomer structures. For the first time, we demonstrated a novel and effective strategy combining quantum chemistry calculations with ML modeling for accurate and efficient prediction of experimentally measured fundamental properties of CPs. Our study paves the way for the accelerated design and development of high-performance CPs in photoelectronic applications.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"49 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
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Nanoscale
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