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Innovative Nanomaterials from Functional Molecules
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Innovative Nanomaterials from Functional Molecules

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Nanoscience".

Deadline for manuscript submissions: 20 May 2026 | Viewed by 35237

Special Issue Editors

Dr. Xiaoming Zhang

E-Mail Website
Guest Editor
1. School of Science, Minzu University of China, Beijing 100081, China
2. Optoelectronics Research Centre, Minzu University of China, Beijing 100081, China
Interests: nanomaterials design and synthesis; molecular assembly; super-resolution fluorescence imaging; lithium-ion battery; colloid and interface
Special Issues, Collections and Topics in MDPI journals
Dr. Yi Jia

E-Mail Website
Guest Editor
Beijing National Laboratory for Molecular Sciences, CAS Key Lab of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Interests: peptide self-assembly; biomolecular motor; schiff base; layer-by-layer assembly; dopamine; drug delivery; nanomedicine
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The structure, properties, and interactions of molecules are pivotal in shaping the functionality and applications of materials. Molecular design stands as the cornerstone of material innovation. Through advanced theoretical calculations and simulations, we can predict molecular properties, enabling the design of novel materials with tailored functions. Moreover, functional modifications of molecules offer a pathway toward further optimizing or introducing new capabilities. Intermolecular forces—such as van der Waals forces, hydrogen bonds, and ionic bonds—play a crucial role in determining the macroscopic properties of materials. This Special Issue delves into the preparation techniques of nanomaterials based on functional molecules and their diverse applications, highlighting the latest research milestones and future directions. By meticulously researching and designing molecules, we aim to elucidate nanomaterial preparation techniques, explore the intricate relationship between nanomaterial structure and performance, and showcase the transformative applications of functional molecule-based nanomaterials in sensing, catalysis, energy, medicine, environmental protection, and beyond. This Special Issue is intended for researchers, university faculty and students, and R&D personnel in related industries in the fields of nanotechnology, materials science, chemistry, and biology, aiming to provide them with the latest research updates, practical technical guidance, and broad intellectual inspiration.

Dr. Xiaoming Zhang
Dr. Yi Jia
Guest Editors

Manuscript Submission Information

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Keywords

  • functional materials
  • molecular design
  • molecular assembly
  • medicine
  • catalysis
  • battery
  • supercapacitor
  • sensing

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Published Papers (6 papers)

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Research

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14 pages, 2370 KB  
Article
Self-Assembled Nanoparticles from Cationic Dipeptides and D-π-A Chromophores for Near-Infrared Photothermal Therapy
by Wei Zhou, Liangxin Feng, Yanfei Zeng, Jiaxuan Lin, Shuhui Bo, Nan Sun and Xiaoming Zhang
Int. J. Mol. Sci. 2025, 26(22), 11235; https://doi.org/10.3390/ijms262211235 - 20 Nov 2025
Viewed by 917
Abstract
Developing nanoformulations that combine potent photothermal efficacy with robust biocompatibility remains a critical hurdle for precision cancer therapy. Herein, we successfully fabricated CDPNCs-Z3 composite nanoparticles featuring a distinctive spiky architecture via an induced reconstruction self-assembly strategy using cationic dipeptides (CDP). In contrast to [...] Read more.
Developing nanoformulations that combine potent photothermal efficacy with robust biocompatibility remains a critical hurdle for precision cancer therapy. Herein, we successfully fabricated CDPNCs-Z3 composite nanoparticles featuring a distinctive spiky architecture via an induced reconstruction self-assembly strategy using cationic dipeptides (CDP). In contrast to simple physical encapsulation, the incorporation of the functional guest molecule Z3 drives the synergistic reconstruction of CDP from fibrous aggregates into smaller, monodisperse particulate nanostructures. This distinct morphological transformation is ascribed to the combined effects of π-π stacking between Z3 and the CDP aromatic system and the presence of strong electron-withdrawing groups. Under 808 nm laser irradiation, these composite nanoparticles demonstrate superior photothermal performance and exceptional cycling stability. In vitro assays further validated their high cellular penetration, negligible dark toxicity, and potent photothermal killing effect. This work not only establishes a versatile new paradigm for building peptide-based nanostructures but also lays a solid foundation for designing safe and effective next-generation photothermal therapeutic agents. Full article
(This article belongs to the Special Issue Innovative Nanomaterials from Functional Molecules)
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22 pages, 4095 KB  
Article
Ecosynthesis and Optimization of Nano rGO/Ag-Based Electrode Materials for Superior Supercapacitor Coin Cell Devices
by Belen Orellana, Leonardo Vivas, Carolina Manquian, Tania P. Brito and Dinesh P. Singh
Int. J. Mol. Sci. 2025, 26(19), 9578; https://doi.org/10.3390/ijms26199578 - 1 Oct 2025
Cited by 1 | Viewed by 1313
Abstract
In the shift toward sustainable energy, there is a strong demand for efficient and durable energy storage solutions. Supercapacitors, in particular, are a promising technology, but they require high-performance materials that can be produced using simple, eco-friendly methods. This has led researchers to [...] Read more.
In the shift toward sustainable energy, there is a strong demand for efficient and durable energy storage solutions. Supercapacitors, in particular, are a promising technology, but they require high-performance materials that can be produced using simple, eco-friendly methods. This has led researchers to investigate new materials and composites that can deliver high energy and power densities, along with long-term stability. Herein, we report a green synthesis approach to create a composite material consisting of reduced graphene oxide and silver nanoparticles (rGO/Ag). The method uses ascorbic acid, a natural compound found in fruits and vegetables, as a non-toxic agent to simultaneously reduce graphene oxide and silver nitrate. To enhance electrochemical performance, the incorporation of silver nanoparticles into the rGO structures is optimized. In this study, different molar concentrations of silver nitrate (1.0, 0.10, and 0.01 M) are used to control silver nanoparticle loading during the synthesis and reduction process. A correlation between silver concentration, defect density in rGO, and the resulting capacitive behavior was assessed by systematically varying the silver molarity. The synthesized materials exhibited excellent performance as supercapacitor electrodes in a three-electrode configuration, with the rGO/Ag 1.0 M composite showing the best performance, reaching a maximum specific capacitance of 392 Fg−1 at 5 mVs−1. Furthermore, the performance of this optimized electrode material was investigated in a two-electrode configuration as a coin cell device, which demonstrates a maximum areal-specific capacitance of 22.63 mFcm−2 and a gravimetric capacitance of 19.00 Fg−1, which is within the range of commercially viable devices and a significant enhancement, outperforming low-level graphene-based devices. Full article
(This article belongs to the Special Issue Innovative Nanomaterials from Functional Molecules)
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Review

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35 pages, 3457 KB  
Review
Silver Nanoparticles in Antibacterial Research: Mechanisms, Applications, and Emerging Perspectives
by Hasan Karataş, Furkan Eker, Emir Akdaşçi, Mikhael Bechelany and Sercan Karav
Int. J. Mol. Sci. 2026, 27(2), 927; https://doi.org/10.3390/ijms27020927 - 16 Jan 2026
Cited by 13 | Viewed by 2211
Abstract
Silver nanoparticles (AgNPs) possess distinct physicochemical characteristics and demonstrate high antibacterial potential that highlights them as promising alternatives against a wide range of pathogens. The immense antibacterial potential of AgNPs is primarily attributed to the release of silver ions that lead to the [...] Read more.
Silver nanoparticles (AgNPs) possess distinct physicochemical characteristics and demonstrate high antibacterial potential that highlights them as promising alternatives against a wide range of pathogens. The immense antibacterial potential of AgNPs is primarily attributed to the release of silver ions that lead to the disruption of bacterial cell membrane, generation of reactive oxygen species (ROS), inhibition of protein synthesis and interference with DNA replication. Variations in AgNPs’ shape, size, and surface characteristics are also considered key factors determining their effectivity as well as specificity. AgNPs are considered potent antibacterial agents, including against antibiotic- and drug-resistant strains. However, inappropriate dosages or unoptimized application of may result in potential toxicity, consisting one of the main drawbacks of the AgNPs’ safer administration. This article reviews the recent literature on the antibacterial potential of AgNPs, focusing on their broad mechanisms of action, applicability, especially in agriculture, biomedical and environmental fields, toxicity and future perspectives. Full article
(This article belongs to the Special Issue Innovative Nanomaterials from Functional Molecules)
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44 pages, 2436 KB  
Review
Microbial-Based Green Synthesis of Silver Nanoparticles: A Comparative Review of Bacteria- and Fungi-Mediated Approaches
by Emir Akdaşçi, Furkan Eker, Hatice Duman, Mikhael Bechelany and Sercan Karav
Int. J. Mol. Sci. 2025, 26(20), 10163; https://doi.org/10.3390/ijms262010163 - 19 Oct 2025
Cited by 11 | Viewed by 3755
Abstract
The growing demand for sustainable and eco-friendly technologies has driven the development of green and bio-based synthesis methods for metallic nanoparticles. Among these, the microbial synthesis of silver nanoparticles (AgNPs) has emerged as a promising alternative to conventional chemical methods, which often rely [...] Read more.
The growing demand for sustainable and eco-friendly technologies has driven the development of green and bio-based synthesis methods for metallic nanoparticles. Among these, the microbial synthesis of silver nanoparticles (AgNPs) has emerged as a promising alternative to conventional chemical methods, which often rely on hazardous reagents and harsh conditions. Bacteria and fungi are particularly attractive due to their ability to produce AgNPs with tunable size, shape, and surface properties through natural enzymatic and metabolic processes. This review provides a comparative analysis of bacterial and fungal synthesis routes, focusing on their distinct advantages, limitations, and optimal applications. Bacterial synthesis offers faster growth, simpler culture requirements, and greater potential for genetic manipulation, enabling precise control over nanoparticle (NP) characteristics. In contrast, fungal synthesis typically yields higher nanoparticle stability and is well suited for extracellular, scalable production. The review also summarizes key synthesis parameters (e.g., pH, temperature, reaction time), addresses reproducibility and scalability challenges, and highlights emerging research areas, including antibacterial bio-hybrid materials and bacterial-supported metallic catalysts. Overall, this comparative perspective provides a clear framework for selecting appropriate microbial systems for different technological applications and identifies future research directions to advance green nanotechnology. Full article
(This article belongs to the Special Issue Innovative Nanomaterials from Functional Molecules)
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39 pages, 1924 KB  
Review
Comprehensive Review of Silver Nanoparticles in Food Packaging Applications
by Erkan Efe Okur, Furkan Eker, Emir Akdaşçi, Mikhael Bechelany and Sercan Karav
Int. J. Mol. Sci. 2025, 26(20), 9842; https://doi.org/10.3390/ijms26209842 - 10 Oct 2025
Cited by 9 | Viewed by 5189
Abstract
In recent years, the use of silver nanoparticles (AgNPs) in various fields has been investigated due to their highly potent properties. One of these areas is the adaptation of AgNPs to food packaging/preservation technologies. The primary reasons for the use of AgNPs in [...] Read more.
In recent years, the use of silver nanoparticles (AgNPs) in various fields has been investigated due to their highly potent properties. One of these areas is the adaptation of AgNPs to food packaging/preservation technologies. The primary reasons for the use of AgNPs in food preservation studies are their high levels of antibacterial, antioxidant, and antifungal activities. In particular, the slow and controlled release of silver provides a sustained protective effect throughout the contact period of AgNP-integrated packaging with food and reduces microbial load by preventing biofilm formation. Furthermore, high thermal stability of AgNPs provides high protection to foods under various conditions. Their high surface-area-to-volume ratio, making them effective even at low concentrations, further supports AgNPs as a promising alternative in food preservation technologies. Moreover, their ease of surface modification facilitates the integration of these nanoparticles (NPs) into polymer matrices, biodegradable films, and coatings. Additionally, some AgNP-based films are also used in smart packaging applications, providing a color change indicator of degradation. Their broad pH tolerance enhances their applicability to a variety of food types, from dairy to meat products. For all these reasons, AgNPs are considered as one of the essential components of innovative food packaging to slow down food spoilage, prevent microbial contamination, and provide safer, longer-lasting products to the consumer, and studies on them are ongoing. Full article
(This article belongs to the Special Issue Innovative Nanomaterials from Functional Molecules)
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50 pages, 2258 KB  
Review
Green Synthesis of Silver Nanoparticles Using Plant Extracts: A Comprehensive Review of Physicochemical Properties and Multifunctional Applications
by Furkan Eker, Emir Akdaşçi, Hatice Duman, Mikhael Bechelany and Sercan Karav
Int. J. Mol. Sci. 2025, 26(13), 6222; https://doi.org/10.3390/ijms26136222 - 27 Jun 2025
Cited by 72 | Viewed by 21328
Abstract
Green synthesis of silver nanoparticles (AgNPs) using plant extracts has emerged as a sustainable and eco-friendly alternative to conventional physical and chemical methods. This review provides a comprehensive overview of plant-mediated synthesis routes, emphasizing the influence of phytochemicals on nanoparticle formation, morphology, and [...] Read more.
Green synthesis of silver nanoparticles (AgNPs) using plant extracts has emerged as a sustainable and eco-friendly alternative to conventional physical and chemical methods. This review provides a comprehensive overview of plant-mediated synthesis routes, emphasizing the influence of phytochemicals on nanoparticle formation, morphology, and stability. The physicochemical properties of AgNPs, such as size, shape, and surface characteristics, are critically examined in relation to synthesis parameters, summarizing the plant species employed and associated reaction conditions. The wide-ranging applications of plant-based AgNPs are explored, including antimicrobial, agricultural, environmental, industrial, and biomedical uses, such as drug delivery and wound healing. The section is supported with recent application-specific studies to their corresponding nanoparticle properties, highlighting the relationship between structure and function. Finally, this review discusses current challenges, particularly potential toxicity considerations, and outlines future perspectives for standardization, mechanistic understanding, and translational potential in wide-ranging applications. Full article
(This article belongs to the Special Issue Innovative Nanomaterials from Functional Molecules)
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