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Phyto-Functional Nanomaterials: Synthesis, Characterization and Application
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Phyto-Functional Nanomaterials: Synthesis, Characterization and Application

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: 31 December 2025 | Viewed by 8879

Special Issue Editors

Dr. Maria G. P. M. S. Neves

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Guest Editor
LAQV-REQUIMTE, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal
Interests: organic synthesis; tetrapyrrolic macrocycles; photodynamic therapy; sensing; G-quadruplex ligands; solar cells; catalysis
Special Issues, Collections and Topics in MDPI journals
Dr. Carla Isabel Madeira dos Santos

E-Mail Website
Guest Editor
1. CQE, Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais, 1049-001 Lisboa, Portugal
2. LAQV-REQUIMTE, Department of Chemistry, University of Aveiro, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal
Interests: tetrapyrrolic macrocycles; corroles; porphyrins; carbon nanomaterials; fluorescent probes; photodynamic therapy
Special Issues, Collections and Topics in MDPI journals
Dr. Nuno M. M. Moura

E-Mail Website
Guest Editor
Department of Chemistry and LAQV-REQUIMTE, University of Aveiro, 3810-193 Aveiro, Portugal
Interests: organic chemistry; heterocycles; porphyrinoids; chemosensing; photodynamic processes; energy conversion systems; remediation
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues, 

The development of efficient and stable nanomaterials is a critical objective in modern science due to the growing demand for sustainable technologies across the fields of energy, the environment, and biomedicine.

Recent research highlights the versatility of phyto-functional nanomaterials, whose unique properties enable applications ranging from organic synthesis and hydrogen production to environmental remediation and biomedical interventions, including antimicrobial and anticancer strategies.

A key challenge lies in replacing conventional synthetic approaches that use potentially hazardous reagents with greener methods—such as the valorization of waste biomass and biogenic materials, including plant extracts (e.g., leaves, roots, flowers, and peels) and other biological derivatives. These phytochemicals serve not only as reducing and stabilizing agents in nanoparticle synthesis but also play a crucial role in controlling nanoparticle size, dispersibility, and morphology.

This Special Issue aims to provide a platform for original research and review articles focused on the synthesis, characterization, and application of nanomaterials obtained through phytochemical or bio-based approaches.

Articles may address (but are not limited to) the following topics:

  • Development and characterization of phyto-functional nanomaterials via green and biogenic routes.
  • Evaluation of their performance in organic synthesis.
  • Hydrogen production through photocatalytic water splitting.
  • Removal of volatile organic pollutants and air purification.
  • Degradation and removal of dyes and pollutants (e.g., pesticides, pharmaceuticals, heavy metal ions, and emerging contaminants).
  • Photocatalytic conversion of carbon dioxide into valuable energy-related products.
  • (Photo)Inactivation of cancer cells and microorganisms, among other applications.

Prof. Dr. Maria G. P. M. S. Neves
Dr. Carla Isabel Madeira dos Santos
Dr. Nuno M. M. Moura
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • phyto-functional nanomaterials
  • green synthesis
  • hydrogen generation
  • pollutant degradation/removal
  • fine chemistry
  • photoinactivation
  • cancer
  • microorganisms

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Published Papers (4 papers)

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Research

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15 pages, 3425 KiB  
Article
Green Synthesis of Zinc Oxide Nanoparticles Using Aqueous Extract of Pavonia zeylanica to Mediate Photocatalytic Degradation of Methylene Blue: Studies on Reaction Kinetics, Reusability and Mineralization
by Dhananjay Purushotham, Abhilash Mavinakere Ramesh, Divakara Shetty Thimmappa, Nataraj Kalegowda, Gowtham Hittanahallikoppal Gajendramurthy, Shiva Prasad Kollur and Murali Mahadevamurthy
Int. J. Mol. Sci. 2025, 26(10), 4739; https://doi.org/10.3390/ijms26104739 - 15 May 2025
Cited by 2 | Viewed by 754
Abstract
Nanoparticles (especially zinc and titanium oxide) have been found to be effective in photodegrading pollutants (organic/inorganic) from industrial wastewater. Presently, this study aimed at biosynthesizing zinc oxide nanoparticles (ZnO-NPs) from the leaf extract of Pavonia zeylanica, a plant with significant medical value, [...] Read more.
Nanoparticles (especially zinc and titanium oxide) have been found to be effective in photodegrading pollutants (organic/inorganic) from industrial wastewater. Presently, this study aimed at biosynthesizing zinc oxide nanoparticles (ZnO-NPs) from the leaf extract of Pavonia zeylanica, a plant with significant medical value, and evaluating their photocatalytic properties against methylene blue (MB), an azo dye (100 mg L−1, pH 7), using solar irradiation, along with the measurement of their reusability and mineralization efficiency. The characterization of the Pz-ZnO-NPs showed an absorbance peak at 313 nm, with a bandgap value of 3.04 eV and a size of 19.58 nm. This study’s results show that the synthesized Pz-ZnO-NPs, upon treatment with MB dye after 2 h of solar irradiation, showed an 89.32% degradation, which was concentration-dependent and followed pseudo-first-order kinetics. The reusability studies indicated that the Pz-ZnO-NPs were able to degrade MB dye after five repeated cycles of its usage. The structural composition of the Pz-ZnO-NPs evaluated by XRD showed that the peak position stayed constant. Nevertheless, the peak intensity dropped, indicating that the ZnO-NPs’ crystal structure was unaffected. Furthermore, advanced oxidation process studies, which included an evaluation of COD and TOC, revealed that both the contents decreased significantly during the photocatalysis process, wherein the electron-rich organic dyes were converted to nontoxic products through mineralization. Full article
(This article belongs to the Special Issue Phyto-Functional Nanomaterials: Synthesis, Characterization and Application)
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16 pages, 2568 KiB  
Article
Nonadiabatic Surface Hopping Dynamics of Photocatalytic Water Splitting Process with Heptazine–(H2O)4 Chromophore
by Xiaojuan Pang, Chenghao Yang, Ningbo Zhang and Chenwei Jiang
Int. J. Mol. Sci. 2025, 26(10), 4549; https://doi.org/10.3390/ijms26104549 - 9 May 2025
Viewed by 343
Abstract
Recent research on the use of heptazine-based polymeric carbon nitride materials as potential photocatalysts for hydrogen evolution has made significant progress. However, the impact of the water cluster’s size on the time-dependent photochemical mechanisms during the water splitting process of heptazine–water clusters remains [...] Read more.
Recent research on the use of heptazine-based polymeric carbon nitride materials as potential photocatalysts for hydrogen evolution has made significant progress. However, the impact of the water cluster’s size on the time-dependent photochemical mechanisms during the water splitting process of heptazine–water clusters remains largely unexplored. Here, we present a Landau–Zener trajectory surface hopping dynamics calculation for heptazine–(H2O)4 clusters at the ADC(2) level. The electron-driven proton transfer (EDPT) mechanism reaction from water to hydrogen-bonded heptazine–water clusters was confirmed using this method, yielding a heptazinyl radical and an OH biradical as products. The calculated quantum yield of the EDPT for the heptazine–(H2O)4 complex was 6.5%, which was slightly lower than that of the heptazine–H2O complex (9%), suggesting that increasing the water cluster size does not significantly enhance the efficiency of hydrogen transfer. Interestingly, our results show that the de-excitation of the heptazine–water complex from the excited state to the ground state via the EDPT process follows both fast and slow decay modes, which govern population relaxation and facilitate the photochemical water splitting reaction. This newly identified differential decay behavior offers valuable insights that could help deepen our understanding of the EDPT process, potentially improving the efficiency of water splitting under sunlight. Full article
(This article belongs to the Special Issue Phyto-Functional Nanomaterials: Synthesis, Characterization and Application)
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19 pages, 6944 KiB  
Article
Efficient Strategies to Use β-Cationic Porphyrin-Imidazolium Derivatives in the Photoinactivation of Methicillin-Resistant Staphylococcus aureus
by Nuno M. M. Moura, Xavier Moreira, Eliana Sousa Da Silva, Joaquim Luís Faria, Maria G. P. M. S. Neves, Adelaide Almeida, Maria A. F. Faustino and Ana T. P. C. Gomes
Int. J. Mol. Sci. 2023, 24(21), 15970; https://doi.org/10.3390/ijms242115970 - 4 Nov 2023
Cited by 2 | Viewed by 1645
Abstract
Bacterial resistance to antibiotics is a critical global health issue and the development of alternatives to conventional antibiotics is of the upmost relevance. Antimicrobial photodynamic therapy (aPDT) is considered a promising and innovative approach for the photoinactivation of microorganisms, particularly in cases where [...] Read more.
Bacterial resistance to antibiotics is a critical global health issue and the development of alternatives to conventional antibiotics is of the upmost relevance. Antimicrobial photodynamic therapy (aPDT) is considered a promising and innovative approach for the photoinactivation of microorganisms, particularly in cases where traditional antibiotics may be less effective due to resistance or other limitations. In this study, two β-modified monocharged porphyrin-imidazolium derivatives were efficiently incorporated into polyvinylpyrrolidone (PVP) formulations and supported into graphitic carbon nitride materials. Both porphyrin-imidazolium derivatives displayed remarkable photostability and the ability to generate cytotoxic singlet oxygen. These properties, which have an important impact on achieving an efficient photodynamic effect, were not compromised after incorporation/immobilization. The prepared PVP-porphyrin formulations and the graphitic carbon nitride-based materials displayed excellent performance as photosensitizers to photoinactivate methicillin-resistant Staphylococcus aureus (MRSA) (99.9999% of bacteria) throughout the antimicrobial photodynamic therapy. In each matrix, the most rapid action against S. aureus was observed when using PS 2. The PVP-2 formulation needed 10 min of exposure to white light at 5.0 µm, while the graphitic carbon nitride hybrid GCNM-2 required 20 min at 25.0 µm to achieve a similar level of response. These findings suggest the potential of graphitic carbon nitride-porphyrinic hybrids to be used in the environmental or clinical fields, avoiding the use of organic solvents, and might allow for their recovery after treatment, improving their applicability for bacteria photoinactivation. Full article
(This article belongs to the Special Issue Phyto-Functional Nanomaterials: Synthesis, Characterization and Application)
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Review

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42 pages, 15844 KiB  
Review
Porphyrin Photosensitizers Grafted in Cellulose Supports: A Review
by Carlos J. P. Monteiro, Maria G. P. M. S. Neves, Cristina Nativi, Adelaide Almeida and Maria Amparo F. Faustino
Int. J. Mol. Sci. 2023, 24(4), 3475; https://doi.org/10.3390/ijms24043475 - 9 Feb 2023
Cited by 16 | Viewed by 5083
Abstract
Cellulose is the most abundant natural biopolymer and owing to its compatibility with biological tissues, it is considered a versatile starting material for developing new and sustainable materials from renewable resources. With the advent of drug-resistance among pathogenic microorganisms, recent strategies have focused [...] Read more.
Cellulose is the most abundant natural biopolymer and owing to its compatibility with biological tissues, it is considered a versatile starting material for developing new and sustainable materials from renewable resources. With the advent of drug-resistance among pathogenic microorganisms, recent strategies have focused on the development of novel treatment options and alternative antimicrobial therapies, such as antimicrobial photodynamic therapy (aPDT). This approach encompasses the combination of photoactive dyes and harmless visible light, in the presence of dioxygen, to produce reactive oxygen species that can selectively kill microorganisms. Photosensitizers for aPDT can be adsorbed, entrapped, or linked to cellulose-like supports, providing an increase in the surface area, with improved mechanical strength, barrier, and antimicrobial properties, paving the way to new applications, such as wound disinfection, sterilization of medical materials and surfaces in different contexts (industrial, household and hospital), or prevention of microbial contamination in packaged food. This review will report the development of porphyrinic photosensitizers supported on cellulose/cellulose derivative materials to achieve effective photoinactivation. A brief overview of the efficiency of cellulose based photoactive dyes for cancer, using photodynamic therapy (PDT), will be also discussed. Particular attention will be devoted to the synthetic routes behind the preparation of the photosensitizer-cellulose functional materials. Full article
(This article belongs to the Special Issue Phyto-Functional Nanomaterials: Synthesis, Characterization and Application)
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