ChemNanoMat最新文献_第9页

Physics-Informed Neural Networks for Predictive Modeling and Optimization of pH-Triggered Drug Release from Quercetin-Loaded Nanocomposites 基于物理信息的神经网络预测建模和优化槲皮素负载纳米复合材料ph触发的药物释放

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-13 DOI: 10.1002/cnma.70300

Abbas Rahdar, Sonia Fathi-karkan, M. Ali Aboudzadeh

{"title":"Physics-Informed Neural Networks for Predictive Modeling and Optimization of pH-Triggered Drug Release from Quercetin-Loaded Nanocomposites","authors":"Abbas Rahdar, Sonia Fathi-karkan, M. Ali Aboudzadeh","doi":"10.1002/cnma.70300","DOIUrl":"https://doi.org/10.1002/cnma.70300","url":null,"abstract":"Precise control of drug-release kinetics remains a major challenge in nanomedicine, particularly for pH-responsive delivery systems targeting the acidic tumor microenvironment. Here, we develop a physics-informed neural network (PINN) framework for predicting and optimizing pH-triggered drug release from quercetin-loaded nanocomposites. The model embeds Fickian diffusion and pH-dependent polymer erosion directly into the learning architecture, enabling mechanistically consistent predictions that incorporate nanocomposite morphology, surface chemistry, and material composition. Trained on 69 formulations, the PINN accurately reproduces cumulative release profiles across pH 5.4–7.4 (R2 = 0.96, MAE = 2.8%). Global sensitivity analysis identifies pore architecture (optimal 8–12 nm), surface functionalization density, zeta potential, polymer molecular weight, hydrophilic–hydrophobic balance, and drug loading as the dominant determinants of release behavior. Coupling the PINN with Bayesian multiobjective optimization reveals Pareto-optimal designs that maximize release under acidic conditions while minimizing premature release at physiological pH. The best-performing formulation achieves 95.2% release at pH 5.4, less than 15% release at pH 7.4 over 72 h, and sustained delivery beyond 96 h. Mechanistic and biological studies corroborate the optimized release behavior and demonstrate effective tumor growth suppression with minimal systemic toxicity. Overall, this framework provides a robust strategy for the rational design of pH-selective drug-delivery systems with tunable release profiles.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnma.70300","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148238293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Enhanced Hydrazine Electrooxidation Using Ni–Zr/Multiwalled Carbon Nanotube Nanocomposites as Low-Cost Anode Catalysts Ni-Zr /多壁碳纳米管复合材料作为低成本阳极催化剂增强肼电氧化

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-12 DOI: 10.1002/cnma.70304

Bilwadal Dutta, Chandan Kumar Raul, Koushik Pakhira, Soumen Basu, Ajit Kumar Meikap

{"title":"Enhanced Hydrazine Electrooxidation Using Ni–Zr/Multiwalled Carbon Nanotube Nanocomposites as Low-Cost Anode Catalysts","authors":"Bilwadal Dutta, Chandan Kumar Raul, Koushik Pakhira, Soumen Basu, Ajit Kumar Meikap","doi":"10.1002/cnma.70304","DOIUrl":"https://doi.org/10.1002/cnma.70304","url":null,"abstract":"In this work, Ni–Zr nanoparticles supported on multiwalled carbon nanotubes (MWCNTs) were synthesized via a wet chemical method, and four different Ni–Zr/MWCNT compositions were systematically prepared to investigate composition-dependent electrocatalytic behavior. Structural and morphological characterizations using X-ray diffraction, field-emission scanning electron microscopy, and energy-dispersive spectroscopy confirmed the successful incorporation of Zr into the Ni/MWCNT framework and the uniform dispersion of nanoparticles. Electrochemical studies revealed that the Ni–Zr/MWCNT system demonstrated markedly superior electrocatalytic performance compared to monometallic Ni/MWCNT. In particular, the Ni50Zr50/MWCNT composition exhibited the highest activity, delivering a current density of 96.35 mA.cm−2 with a low apparent activation energy (Ea = 7.05 kJ.mol−1), a minimal charge transfer resistance (Rct = 24.89 ohms), and stable chronoamperometric response. The results demonstrate that synergistic alloying and conductive MWCNT support effectively enhance reaction kinetics, providing a cost-effective and durable anode catalyst for advanced hydrazine electrooxidation.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148238174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Charge Transport in Thin-Film Transistors Based on Liquid-Crystalline Phthalocyanines 基于液晶酞菁的薄膜晶体管中的电荷输运

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-12 DOI: 10.1002/cnma.70297

Lindiomar Borges de Avila Junior, Zuchong Yang, Ilknur Hatice Eryilmaz, Lilian Skokan, Leonardo Furini, Andreas Ruediger, Harald Bock, Ivan H. Bechtold, Emanuele Orgiu

{"title":"Charge Transport in Thin-Film Transistors Based on Liquid-Crystalline Phthalocyanines","authors":"Lindiomar Borges de Avila Junior, Zuchong Yang, Ilknur Hatice Eryilmaz, Lilian Skokan, Leonardo Furini, Andreas Ruediger, Harald Bock, Ivan H. Bechtold, Emanuele Orgiu","doi":"10.1002/cnma.70297","DOIUrl":"https://doi.org/10.1002/cnma.70297","url":null,"abstract":"We investigate a series of liquid-crystalline phthalocyanines (metal-free and Cu, Zn, Ni, Co complexes) and their electronic performance as active layers in organic thin-film transistors (OTFTs). Raman spectroscopy reveals metal-dependent distortions of the phthalocyanine macrocycles, reflected in systematic shifts of the C−N−C and M−N vibrational modes. When integrated into OTFTs, all compounds exhibited markedly enhanced current response under ultrahigh vacuum compared to an N2- atmosphere, demonstrating that intrinsic charge transport is suppressed by atmospheric species. Temperature-dependent measurements (in the 100–300 K range) revealed that the threshold-voltage shifts in the devices were driven by deep interface and bulk traps, while all devices displayed thermally activated mobility with low activation energies (≈14–20 meV). These results highlight how mesomorphic order, metal coordination, and environmental conditions collectively govern charge transport in liquid-crystalline phthalocyanines, offering design guidelines for their use as self-assembled semiconducting materials in organic electronics. Our results therefore represent a systematic characterization of liquid-crystalline phthalocyanine-based OTFTs, revealing low trap-barrier energies and efficient charge-hopping pathways present in these materials.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnma.70297","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148237832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Go/Zrp as an Effective Adsorbent for Pb(II) Ions Removal From Water: Preparation, Adsorption Behavior, and Equilibrium Studies Go/Zrp作为水中铅（II）离子的有效吸附剂：制备、吸附行为和平衡研究

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-12 DOI: 10.1002/cnma.202500771

Lebohang Seromo, Nagi Greesh, Julia Puseletso Mofokeng

{"title":"Go/Zrp as an Effective Adsorbent for Pb(II) Ions Removal From Water: Preparation, Adsorption Behavior, and Equilibrium Studies","authors":"Lebohang Seromo, Nagi Greesh, Julia Puseletso Mofokeng","doi":"10.1002/cnma.202500771","DOIUrl":"https://doi.org/10.1002/cnma.202500771","url":null,"abstract":"Contaminated water, especially with heavy metals like lead (Pb(II)), poses significant risks to both ecosystems and human health. This study explores effective materials for removing Pb(II) ions from water, focusing on graphene oxide (GO)-based nanocomposites known for their high adsorption capacity. Zirconium phosphate (ZrP) was grafted onto GO to form GO/ZrP nanocomposite as a potential adsorbent. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Thermogravimetric analysis (TGA), and inductively coupled plasma optical emission spectroscopy (ICP-OES) were used to study the morphology, thermal degradation and stability, and the adsorption of lead contaminant from water. According to FTIR, XRD, and SEM, a plenty of oxygen-containing functional groups were attached to expandable graphite, and ZrP was successfully grafted onto GO to enhance its Pb(II) ions removal efficiency. ICP-OES results showed that the ZrP-modified GO indeed outperformed pristine GO in removing Pb(II) ions, achieving the maximum removal across all tested parameters. The results indicate that the excellent adsorption properties of GO, coupled with ZrP, which has good ion exchange capabilities, drive the effective removal of Pb(II) from contaminated water. TGA revealed that the thermal stability of GO was enhanced by ZrP.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnma.202500771","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148237833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

From Structure to Application: A Comprehensive Review of MXenes in Energy Storage 从结构到应用：MXenes在储能中的综合综述

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-12 DOI: 10.1002/cnma.70291

Ayesha Sana, Sanam Bashir, Muhammad Waqas Ashraf, Ibrahim A. Shaaban, Malik Shoaib Ahmad, Sami Ullah, Awais Ahmad, Syed Shoaib Ahmad Shah, Muhammad Altaf Nazir

{"title":"From Structure to Application: A Comprehensive Review of MXenes in Energy Storage","authors":"Ayesha Sana, Sanam Bashir, Muhammad Waqas Ashraf, Ibrahim A. Shaaban, Malik Shoaib Ahmad, Sami Ullah, Awais Ahmad, Syed Shoaib Ahmad Shah, Muhammad Altaf Nazir","doi":"10.1002/cnma.70291","DOIUrl":"https://doi.org/10.1002/cnma.70291","url":null,"abstract":"Their exceptional hydrophilicity, high negative zeta-potential, outstanding thermal and electrical conductivity, and mechanical qualities that are on pace with those of the carbides and nitrides of the parent transition metal, MXenes are transition metal carbides and nitrides in two dimensions, have recently drawn notice as a miraculous material offering newer possibilities. These characteristics of MXenes can be applied to energy conversion and storage, among other societal uses. In this targeted analysis, we offer a quick look at the MXene family's evolutionary history as well as the numerous global initiatives aimed at improving performance and properties as energy storage material. Furthermore, this work outlines key structure–property relationships and design strategies to accelerate the development of high-performance MXene-based energy devices. This study places particular attention on educating readers about MXene's bright future in energy conversion and storage, which is a timely remedy for the current climate change crisis. This work integrates insights from density functional theory and molecular simulations with a critical evaluation of industrialization prospects and commercial viability, providing a comprehensive perspective from fundamental understanding to real-world application. In order to develop resilient energy solutions, the review ends by providing new insights into the difficulties and research needs of future.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148238102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Hydrophilic Molecularly Modified Graphene Oxide/Carbon Nitride Composite Membranes for Molecular/Ionic Separation 用于分子/离子分离的亲水性分子修饰氧化石墨烯/氮化碳复合膜

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-08 DOI: 10.1002/cnma.70287

Yonghe Xiu, Wenbiao Zheng, Licong Meng, Dongyang Zheng, Rujing Zhang, Qiaofeng Zhang, Xiangzong Wu, Liwei Wang

引用次数: 0

Constructing PdNiMo Trimetallene Catalysts for Efficient Electrochemical Nitrate Reduction to Ammonia 构建PdNiMo三金属烯催化剂高效电化学还原硝酸盐制氨

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-08 DOI: 10.1002/cnma.70296

Yiqiu Xu, Tianrui Luo, Yizhe Gao, Kedi Yu, Yumin Leng, Zhengbo Chen

引用次数: 0

Vapor-Phase Oxidative Polymerization Enabled Carbon-Coated FeF2 Cathodes With Enhanced Electrochemical Performance 气相氧化聚合使碳包覆FeF2阴极具有增强的电化学性能

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-08 DOI: 10.1002/cnma.70292

Ran Wang, Qing Ke, Yujia Wang, Xiaolei Ren

{"title":"Vapor-Phase Oxidative Polymerization Enabled Carbon-Coated FeF2 Cathodes With Enhanced Electrochemical Performance","authors":"Ran Wang, Qing Ke, Yujia Wang, Xiaolei Ren","doi":"10.1002/cnma.70292","DOIUrl":"https://doi.org/10.1002/cnma.70292","url":null,"abstract":"FeF2 is a promising cathode material for high-energy lithium-ion batteries owing to its high theoretical specific capacity, low cost, and environmental benignity. However, its practical application is severely hindered by low intrinsic electronic conductivity and sluggish reaction kinetics, resulting in poor cycling stability and limited rate performance. Carbon coating is widely regarded as an effective strategy to improve its electrochemical performance. Herein, a vapor-phase oxidative polymerization strategy followed by a low-temperature carbonization process is proposed to construct a polypyrrole-derived carbon coating on FeF2 particles (FeF2@coPPy). The effects of carbonization time (1, 4, 8 h) on the composition, morphology, and electrochemical properties of the materials were systematically investigated. Prolonged carbonization enhances the carbonization degree of polypyrrole, resulting in improved electronic conductivity and electrochemical performance. However, excessive carbonization induces partial oxidation of FeF2 to Fe2O3 and particle agglomeration, which deteriorate electrochemical properties. Benefiting from an optimized carbon shell and preserved phase integrity, FeF2@coPPy-4 delivers the best overall performance, maintaining a reversible capacity of 207.2 mAh/g after 100 cycles at 0.1 C and exhibiting excellent rate capability. This work demonstrates a versatile and effective vapor-phase coating strategy for advancing metal fluoride cathodes toward high-performance energy storage applications.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148237646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Design of Multicarboxylated Phenolic Resin Functionalized With Cinnamic Acid for Quantum Dots Photolithography 肉桂酸功能化多羧基酚醛树脂用于量子点光刻的设计

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-08 DOI: 10.1002/cnma.70293

Wenhui Yue, Bin Tong, Gaoling Yang, Yuping Dong, Jianbing Shi

{"title":"Design of Multicarboxylated Phenolic Resin Functionalized With Cinnamic Acid for Quantum Dots Photolithography","authors":"Wenhui Yue, Bin Tong, Gaoling Yang, Yuping Dong, Jianbing Shi","doi":"10.1002/cnma.70293","DOIUrl":"https://doi.org/10.1002/cnma.70293","url":null,"abstract":"Quantum dots (QDs) are essential for next-generation displays, yet their hydrophobic ligands cause poor adhesion to the substrates, thus leading to film detachment during photolithography. To address this, a carboxyl-functionalized phenol-formaldehyde (PF) oligomer was rationally designed and synthesized, in which each structural unit bears a carboxyl group to enable strong interfacial interactions with QD surfaces and underlying substrates, serving as a versatile platform for multifunctional photoresist development. Building on this, cinnamate (CA) groups were further introduced as photoactive crosslinking units and chain-end groups by polycondensation of the PF oligomer with phenylphosphonic dichloride, yielding the multifunctional PFP-CAs. The obtained PFP-CAs with multicarboxylate groups exhibit high viscosity and excellent solubility in the solvent of propylene glycol methyl ether acetate (PGMEA). A QD photoresist (QDPR) formulation was subsequently prepared by dispersing QDs with PFP-CAs in PGMEA, and high-resolution patterns with a feature size down to 5 μm has been achieved, demonstrating that the multicarboxylate architecture effectively overcomes the adhesion limitations of conventional QDPRs. These findings establish PFP-CAs as a promising resin platform for high-resolution QD photolithography, offering a practical and scalable pathway toward the precise color-patterning required in next-generation manufacturing.","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148237643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Multicolored CQDs Synthesis via Solvent Effects: Machine Learning to Establish a Prediction Model and Portable Detection of NO2− 溶剂效应合成彩色CQDs：机器学习建立NO2−预测模型及便携式检测

IF 2.6 4区材料科学

ChemNanoMat Pub Date : 2026-06-08 DOI: 10.1002/cnma.70289

Manjun Guan, Xinyi Liu, Guilong Wang, Kuan Li, Zixuan Pu, Mingtian Li

{"title":"Multicolored CQDs Synthesis via Solvent Effects: Machine Learning to Establish a Prediction Model and Portable Detection of NO2−","authors":"Manjun Guan, Xinyi Liu, Guilong Wang, Kuan Li, Zixuan Pu, Mingtian Li","doi":"10.1002/cnma.70289","DOIUrl":"https://doi.org/10.1002/cnma.70289","url":null,"abstract":"In this study, carbon quantum dots (CQDs) were synthesized via microwave pyrolysis using o-phenylenediamine (o-PDA) and 2,2-azobisisobutyronitrile (AIBN) as precursors. Based on the solvent effect, multicolored CQDs were prepared. In order to quantitatively analyze the solvent synergistic effect and establish a prediction model for the emission wavelength of CQDs, we established four regression prediction models. The results showed that the Ensemble model was able to associate solvent parameters and predict emission wavelengths most effectively (R2 = 0.9007). DIW-CQDs were prepared taking deionized water (DIW) as the dispersion solvent. DIW-CQDs enable sensitive NO2− detection. The detection limits were 0.38 and 0.03 μM in the ranges of 2.5–25 and 25.5–50 μM, respectively. Furthermore, a rapid detection swab of DIW-CQDs-Fe3+@swab was constructed and applied to the analysis of actual food samples. Taking preserved mustard as an example, the NO2− content was measured to 18.84 mg/kg, which is close to the limit value of 20 mg/kg stipulated by Chinese national food safety standard (GB 2762-2025).","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 6","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148237642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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