Nanoscale最新文献

{"title":"Interfacial chalcogen pair-mediated, biaxial strain- and interlayer distance-tuneable type-2 band alignment in an SnSSe homogeneous bilayer: a density functional theory-based analysis","authors":"Naresh Bahadursha, Chanda Bhavitha Sri, Kuna Krishna Ruthvik, Swastik Bhattacharya, Sayan Kanungo","doi":"10.1039/d5nr00552c","DOIUrl":"https://doi.org/10.1039/d5nr00552c","url":null,"abstract":"This study presents a comprehensive density functional theory-based investigation of the electronic properties of homogeneous bilayer Janus tin sulphide selenide (SnSSe) with different interfacial chalcogen pair configurations. This study focuses on interlayer band alignment, wherein the effects of interlayer distance modulation and applied biaxial strain are methodically studied. Next, the spatial distribution and lifetime of excitonic states are systematically analysed from the in-plane and inter-layer atomic orbital interactions, spatial separation of electron–hole wave functions, and spread of the conduction band in energy. Asymmetric interfacial chalcogen pairing exhibits a finite interlayer dipole moment and interlayer electric field. This reduces the energy bandgap and induces prominent type-2 band alignment between individual SnSSe layers, where band edge Bloch states are strongly localized in alternating layers. An increasing interlayer distance and applied biaxial tensile strain were found to retain the type-2 interlayer band alignment. In contrast, reducing the interlayer distance and biaxial compressive strain significantly altered interlayer atomic orbital interactions and annihilated the type-2 band alignment with a sharp reduction in the energy bandgap owing to the strong delocalization of band edge Bloch states. Thus, this study demonstrates the strain tuneable type-2 band alignment and interlayer excitonic properties of homogeneous bilayer SnSSe with broken interlayer mirror symmetry.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"51 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165557","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}

{"title":"Neomycin Loaded by Tetrahedral Framework Nucleic Acids Enhances Antimicrobial Sensitivity against Bacteria","authors":"Yibo Li, Yangxue Yao, Yun Wang, Yunfeng Lin, Yao He, Shaojingya Gao, Xiaoxiao Cai","doi":"10.1039/d5nr01239b","DOIUrl":"https://doi.org/10.1039/d5nr01239b","url":null,"abstract":"Burn wound infections pose significant challenges to burn injury management, and antibiotic therapy now is playing a crucial role in preventing and treating post-burn infections. Neomycin sulfate (NeoS), one of the most commonly used antibiotics for treating multiple bacterial infections, faces limitations such as low bioavailability and severe side effects. Therefore, there is an urgent need for strategies to improve the therapeutic efficacy of NeoS. This study proposes a strategy combining NeoS with nanomaterials, specifically using tetrahedral framework nucleic acids (tFNAs) as a carrier to load NeoS and fabricate tFNAs-loading NeoS (tFNAs-NeoS). This design made antibiotics more sensitive to Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus), enabling reduced antibiotic dosages. Moreover, tFNA-NeoS exhibits improved stability, biocompatibility, and tissue utilization compared to free NeoS. Leveraging these advantages, tFNA-NeoS was tested in vivo using animal models, and the results further demonstrated its role in anti-inflammation activity, activating angiogenesis, and promoting wound healing. Thus, this strategy of using tFNAs to deliver antibiotics holds promise for enhancing antibiotic sensitivity and minimizing adverse effects in broader antibacterial scenarios.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"1 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154265","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}

{"title":"Correction: Transformable nanodrugs for overcoming the biological barriers in the tumor environment during drug delivery","authors":"Xuejian Li, Zhenkun Huang, Zhihuan Liao, Aijie Liu, Shuaidong Huo","doi":"10.1039/d5nr90108a","DOIUrl":"https://doi.org/10.1039/d5nr90108a","url":null,"abstract":"Correction for ‘Transformable nanodrugs for overcoming the biological barriers in the tumor environment during drug delivery’ by Xuejian Li <em>et al.</em>, <em>Nanoscale</em>, 2023, <strong>15</strong>, 8532–8547, https://doi.org/10.1039/D2NR06621A.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"2 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144153901","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}

{"title":"Unveiling of free carrier transport and ion migration in 2D-3D perovskite mixture for stable optoelectronic devices","authors":"Bich Phuong Nguyen, Sarah Su-O Youn, Yeon Soo Kim, Thuy Thi Nguyen, Ha Kyung Park, Gee Yeong Kim, William Jo","doi":"10.1039/d5nr00992h","DOIUrl":"https://doi.org/10.1039/d5nr00992h","url":null,"abstract":"Manipulating charge carrier recombination dynamics in mixed three-dimensional (3D) and two-dimensional (2D) perovskites is an effective approach to enhance performance and long-term stability in both solar cells and light-emitting diodes (LEDs). Due to high crystallinity and a low charge carrier recombination coefficient, photogenerated charge carriers in solar cells can effectively diffuse across the perovskite layer, while enhancing radiative recombination through charge carrier confinement can significantly improve electroluminescence efficiencies in LEDs. Further improvements in device efficiency and stability require a comprehensive understanding of charge carrier transport at the numerous interfaces between the different phases of 2D perovskite at both the micro- and nanoscale, as well as ion migration. In this study, we examine the carrier transport mechanism at the thin-surface 2D/bulk 3D perovskite interface and the dense-surface 2D/3D heterophase. The electrical properties and ion migration behavior were analyzed by examining the transition of the J–V characteristics in both vertical and lateral devices. We carefully analyzed the influence of nanostructures on charge transport using a conducting atomic force microscopy (C-AFM) and Kelvin probe force microscopy (KPFM). The variation in the spatial response of the photocurrent and surface photovoltage across grains and grain boundaries with different phases of 2D perovskite provides was carefully examined. These groundbreaking findings offer a pathway for optimizing the electrical properties and charge transport behavior of mixed perovskites, positioning them as key materials in the development of efficient and stable optoelectronic devices.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"50 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154260","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}

{"title":"Pioneering nucleation for stable ultraviolet-to-deep-blue illuminating two-dimensional perovskite nanoplates by using saturated salt solution","authors":"Anupriya Singh, Yi-Chia Chen, Kuan-Chang Wu, Yu-Ying Shih, Tzu-Chi Huang, Wei-Lon Wei, Yu-Dian Chen, Priyadarshini H. Nagaraju, Jou-Chun Lin, Bi-Hsuan Lin, Mau-Tsu Tang, Di-Yan Wang","doi":"10.1039/d5nr01488c","DOIUrl":"https://doi.org/10.1039/d5nr01488c","url":null,"abstract":"Two-dimensional (2D) metal halide perovskites are promising materials for efficient ultraviolet-to-blue light emission. However, synthesizing stable, phase-pure, and highly fluorescent 2D perovskite nanomaterials remains challenging. Here, a unique nucleation strategy is used for stabilizing the nucleation of the 2D phase in perovskite stock solution, increasing the luminance and stability of the resulting nanoplates. To kinetically control the formation of 2D perovskite nanoplates with specific &lt;em&gt;n&lt;/em&gt; values, this strategy is mainly executed by using a saturated solution of PbX&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; (X = Br or Cl), an optimized amount of CsX and PbX&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; solution and small amounts of oleylamine (OLM) for adjusting the ratio of [Pb&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Br&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;]&lt;small&gt;&lt;sup&gt;2&lt;em&gt;x&lt;/em&gt;–&lt;em&gt;y&lt;/em&gt;&lt;/sup&gt;&lt;/small&gt;/Cs&lt;small&gt;&lt;sup&gt;+&lt;/sup&gt;&lt;/small&gt; in the stock solution. The saturated PbX&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; solution plays a role in the formation of the [Pb&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Br&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;]&lt;small&gt;&lt;sup&gt;2&lt;em&gt;x&lt;/em&gt;–&lt;em&gt;y&lt;/em&gt;&lt;/sup&gt;&lt;/small&gt; complex, resulting in the nucleation of 2D (OLM)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;Cs&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;−1&lt;/sub&gt;&lt;/small&gt;Pb&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;X&lt;small&gt;&lt;sub&gt;3&lt;em&gt;n&lt;/em&gt;+1&lt;/sub&gt;&lt;/small&gt; perovskite nanoplates and inhibition of 3D nanocrystal formation. The resulting 2D perovskite nanoplates with specific &lt;em&gt;n&lt;/em&gt; values exhibited high photoluminescence (PL) from the ultraviolet to deep-blue region. Most importantly, this is the first report to demonstrate 2D (OLM)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;PbCl&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt; perovskite nanoplates with &lt;em&gt;n&lt;/em&gt; = 1, yielding unique ultraviolet emission. The 2D (OLM)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;Cs&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;−1&lt;/sub&gt;&lt;/small&gt;Pb&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Br&lt;small&gt;&lt;sub&gt;3&lt;em&gt;n&lt;/em&gt;+1&lt;/sub&gt;&lt;/small&gt; perovskite nanoplates with &lt;em&gt;n&lt;/em&gt; = 1, 2, and 3 demonstrated high emission from violet to deep-blue color. X-ray diffraction (XRD) and attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) patterns indicate complexation of PbBr&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; and halide in the DMF solution, forming species of the Pb–halide complex ([Pb&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Br&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;]&lt;small&gt;&lt;sup&gt;2&lt;em&gt;x&lt;/em&gt;–&lt;em&gt;y&lt;/em&gt;&lt;/sup&gt;&lt;/small&gt;, such as PbBr&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;&lt;small&gt;&lt;sup&gt;–&lt;/sup&gt;&lt;/small&gt; and PbBr&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;&lt;small&gt;&lt;sup&gt;2–&lt;/sup&gt;&lt;/small&gt;). The Pb–halide complex facilitates the 2D arrangement of PbBr&lt;small&gt;&lt;sub&gt;6&lt;/sub&gt;&lt;/small&gt;&lt;small&gt;&lt;sup&gt;4–&lt;/sup&gt;&lt;/small&gt; octahedra, resulting in phase-pure and stable 2D perovskite nanoplates. Improved luminance and stability are attributed to reduced defects as calculated with the help of Urbach energy. This study provides insights into the formation of 2D perovskite nanoplates controlled by manipulating nucleation in the saturated salt ","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"26 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145521","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}

{"title":"Self-patterning of Liquid Field’s Metal for Enhanced Performance of Two-dimensional Semiconductors","authors":"Kwanghee ‍Han, Heeyeon Lee, Minseong Kwon, Vinod M. Menon, Chaun Jang, Youngduck Kim","doi":"10.1039/d4nr03845b","DOIUrl":"https://doi.org/10.1039/d4nr03845b","url":null,"abstract":"Two-dimensional (2D) van der Waals semiconductors show promise for atomically thin, flexible, and transparent optoelectronic devices in future technologies. However, developing high-performance field-effect transistors (FETs) based on 2D materials is impeded by two key challenges, the high contact resistance at the 2D semiconductors-metal interface and the limited effective doping strategies. Here, we present a novel approach to overcome these challenges using self-propagating liquid Field’s metal, a eutectic alloy with a low melting point of approximately 62°C. By modifying pre-patterned electrodes on WSe2 FETs through the deposition of Field’s metal onto contact pad edges followed by vacuum annealing, we create new semimetal electrodes that seamlessly incorporate the liquid metal into 2D semiconductors. This integration preserves the original electrode architecture while transforming to semimetal compositions of Field’s metal such as Bi, In, and Sn modifies the work functions to 2D semiconductors, resulting in reduced contact resistance without inducing Fermi-level pinning and charge carrier mobilities. Our method enhances the electrical performance of 2D devices and opens new avenues for designing high-resolution liquid metal circuits suitable for stretchable, flexible, and wearable 2D semiconductor applications.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"84 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145523","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}

{"title":"Operando Characterization of Lithium Battery Internal Temperatures via Upconverting Nanoparticle Thermometry","authors":"Fei Hu, Ziyang Ye, Andrea D Pickel, Wyatt E Tenhaeff","doi":"10.1039/d5nr01160d","DOIUrl":"https://doi.org/10.1039/d5nr01160d","url":null,"abstract":"Charging lithium batteries at high rates requires reliable, accurate temperature characterization for battery safety. Monitoring the external temperature of battery packaging does not provide satisfactory insight into thermal processes within the cell, especially at high rates when significant temperature gradients can develop. For operando characterization of the internal temperatures of Li batteries, a novel thermometry technique based on the luminescence of upconverting nanoparticles (UCNPs) was demonstrated. NaYF<small>₄</small>:Yb<small>³⁺</small>,Er<small>³⁺</small> UCNPs with an average diameter of 27 nm were introduced onto the surface of battery cell components (anode, cathode, and separator) and shown to have negligible adverse effects on the cell’s performance, while enabling operando measurement of all three component temperatures in a single cell. With application of discharge current of 65 mA in a commercial primary coin cell (CR2032), a maximum temperature difference of 7.9 °C was measured between the cell separator and external packaging. It is envisioned that this technique can be extended to larger format lithium-ion battery cells, revealing non-uniform internal temperature distribution within the cells to better understand critical thermal processes.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"83 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145446","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}

{"title":"Self-regulated photoresponsive heterogeneous PNIPAM hydrogel actuators","authors":"Jingxuan Li, Jiaqi Miao, Alan Cheng Hou Tsang","doi":"10.1039/d4nr05257a","DOIUrl":"https://doi.org/10.1039/d4nr05257a","url":null,"abstract":"Self-regulated actuators harness material intelligence to enable complex deformations and dynamics, representing a significant advancement in automated soft robotics. However, investigations on self-regulated soft actuators, particularly those using simplified actuation modules such as unidirectional light beam, remain limited. Here, we present a design paradigm for self-regulated actuators based on Poly(N-isopropylacrylamide) (PNIPAM) heterogeneous hydrogel, where self-regulated deformations are actuated by a fixed near-infrared laser. By utilizing the different responsiveness of PNIPAM hydrogels and those integrated with reduced graphene oxide (rGO), we develop three heterogeneous hydrogel configurations: up-down, side-by-side, and hybrid. These designs enable complex biomimetic deformations in soft hydrogel actuators, resembling a bending finger or a flexible industrial manipulator, all actuated by a single fixed laser source. These proposed heterogeneous designs and actuation strategies leverage material intelligence to create soft actuators with enhanced autonomy, paving the way for soft automation, adaptive systems, and biomedical applications.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"6 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145445","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}

{"title":"A parametric study on CoFe-based ferrite and alloy nanoparticle synthesis","authors":"Andreas Sergides, Catherine Amiens, Sergio Gomez, Antonis Makridis, Liudmyla Storozhuk, Stefanos Mourdikoudis, Nguyen Thi Kim Thanh","doi":"10.1039/d5nr01089f","DOIUrl":"https://doi.org/10.1039/d5nr01089f","url":null,"abstract":"Magnetic nanoparticles (MNPs) have received great attention during the last two decades thanks to their potential uses in various application fields such as high-density recording media, magnetic separation and biomedical domains. In this work we focus on the exploratory synthesis of cobalt ferrite and iron-cobalt nanoparticles through thermal decomposition wet-chemical pathways. Several parameters were examined in order to elucidate their impact on the composition, morphology and magnetic behavior of the produced nanomaterials. A range of metallic precursor types is first investigated, with a subsequent focus on the case of acetylacetonate salts. In addition, the reduction of CoFe2O4 to FeCo by employing a salt-matrix annealing stage is explored. Polyol and H2-mediated methods are utilized to prepare FeCo alloy NPs in a direct manner. Multi-core nanostructures were also synthesized, which are very promising for magnetic resonance imaging and magnetic hyperthermia (MH) applications. The post-synthesis thermal treatment helped to convert ferrites to iron-cobalt alloy, with the expense of significant particle size increase and aggregation. Alloy particles formed in one-pot way by polyol routes had &gt; 100 nm size and hexagonal shape, while hydrogen-assisted reduction led to monodisperse ~ 30 nm NPs with remarkable MH activity.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"80 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145526","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}

{"title":"Genetic algorithm optimization of tree-based models to predict cargo- and carrier-related factors affecting drug release from liposomes","authors":"Fatemeh Taghizadeh, Ali Hashemi Baghi, Fatemeh Khodadadi, Yasamin Shahbazi, Masoumeh Salehi, Seyed Mohammad Ayyoubzadeh, Azadeh Haeri","doi":"10.1039/d5nr00016e","DOIUrl":"https://doi.org/10.1039/d5nr00016e","url":null,"abstract":"Liposomal drug delivery systems have shown promising potential to improve drug delivery in several aspects. Precise <em>in vitro</em> characterization of formulated liposomes is vital to achieve proper <em>in vivo</em> function. In particular, <em>in vitro</em> release testing of liposomes offers crucial insights for predicting <em>in vivo</em> drug release behavior, guiding the development of more effective liposomal formulations. Herein, random forest (RF)- and XGboost-genetic algorithms were implemented to establish a model to predict release profiles of liposomes based on critical characteristics of carriers, cargoes, and release media. The models were trained with a dataset consisting of release parameters of 203 different liposomal formulations extracted from the literature, divided into three categories: all cargoes, therapeutics with log <em>P</em> &lt; 1, and log <em>P</em> &gt; 1. The SHapley additive exPlanations (SHAP) approach was used to determine how data contributes to the model prediction. A mean squared error of 1.648 highlighted the capability of the genetic algorithm to optimize the hyperparameters of the tree-based models. Furthermore, the developed models demonstrated high accuracy as evidenced by loss functions and statistical metrics such as root mean squared error, mean absolute error, and R-squared. Our results shed light on the distinct influence of phase transition temperature, drug concentration, log <em>P</em>, water solubility, molecular weight, vesicle size, cholesterol to phospholipid molar ratio, and surfactant concentration in the release medium on drug release at different phases of the release profiles. The predictive models developed in this study can facilitate the design of an ideal liposomal formulation for any desired release profile.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"10 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145524","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}