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Molecules publishes Special Issues to create collections of papers on specific topics, with the aim of building a community of authors and readers to discuss the latest research and develop new ideas and research directions. Special Issues are led by Guest Editors, who are experts on the topic and all Special Issue submissions follow MDPI's standard editorial process. The journal’s Editor-in-Chief and/or designated Editorial Board Member will oversee Guest Editor appointments and Special Issue proposals, checking their content for relevance and ensuring the suitability of the material for the journal. The papers published in a Special Issue will be collected and displayed on a dedicated page of the journal’s website. Further information on MDPI's Special Issue policies and Guest Editor responsibilities can be found here. For any inquiries related to a Special Issue, please contact the Editorial Office.

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30th Anniversary of Molecules—Recent Advances in Food Chemistry

edited by

Ana Novo Barros

and Marta Coelho

submission deadline 31 Dec 2025 | Viewed by 117 | Submission Open

Keywords: functional foods; nutraceuticals; bioactive compounds; analytical techniques; by-products; food chemistry

(This special issue belongs to the Section Food Chemistry)

Propolis in Human and Bee Health—2nd Edition

edited by

Magdalena Woźniak

and

Izabela Ratajczak

submission deadline 31 Dec 2025 | Viewed by 116 | Submission Open

Keywords: propolis; plant sources; biological activity; bee health; bioactive compounds; pharmacological properties; analytical methods; applications

(This special issue belongs to the Section Natural Products Chemistry)

Recent Advances in the Organic Synthesis of Bioactive Natural Compounds and Their Analogs

edited by

Ioannis Kostakis

and

Alexios Leandros Skaltsounis

submission deadline 31 Dec 2025 | Viewed by 115 | Submission Open

Keywords: bioactive natural compounds; organic synthesis; natural products; synthetic methodologies; medicinal chemistry; drug discovery; total synthesis

(This special issue belongs to the Section Natural Products Chemistry)

Heavy Metal Pollutants in Water, Wastewater and Sediments: From Occurrence and Determination to Removal and Recovery

edited by

Maciej Thomas

Krzysztof Barbusiński

and

Tomáš Bakalár

submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open

Keywords: heavy metals; analytical methods; wastewater; sludge; recycling; green chemistry; circular economy; sustainable development

(This special issue belongs to the Section Green Chemistry)

Epoxy Resin Synthesis, Performance and Application Research: Second Edition

edited by

Jin Li

submission deadline 31 Dec 2025 | Viewed by 95 | Submission Open

Keywords: synthesis; modification; and characterization; curing kinetics and mechanism; epoxy-based nanocomposites; interface characteristics; advanced hardeners; modifiers; and accelerators; thermal; mechanical; and dielectric properties; applications; quantum chemical calculations; molecular design

(This special issue belongs to the Section Macromolecular Chemistry)

Molecular Dynamics for Chemical Reactions

edited by

Irmgard Frank

submission deadline 31 Dec 2025 | Viewed by 94 | Submission Open

Keywords: ab initio molecular dynamics; reactive dynamics; highly reactive systems

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Circular Economy: Agri-Food Byproducts as Source of Bioactive Compounds, 2nd Edition

edited by

Domenico Trombetta

and

Antonella Smeriglio

submission deadline 31 Dec 2025 | Viewed by 92 | Submission Open

Keywords: agri-food byproducts; plant extracts; food extracts; essential oils; bioactive compounds; nutraceuticals; micromorphology; phytochemistry; health effects; eco-sustainability

(This special issue belongs to the Section Green Chemistry)

Recent Advances in Peptide Assembly and Bioactivity

edited by

Wen Li

submission deadline 31 Dec 2025 | Viewed by 92 | Submission Open

Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials

(This special issue belongs to the Section Bioorganic Chemistry)

Exploring Heterocyclic Compounds: Design, Synthesis and Medicinal Chemistry Applications

edited by

Renzo Luisi

Smaranda Oniga

and

Philipp Natho

submission deadline 31 Dec 2025 | Viewed by 92 | Submission Open

Keywords: heterocyclic compounds; medicinal chemistry; drug design; synthetic methodologies; structure– activity relationships (SARs); computational chemistry

(This special issue belongs to the Section Organic Chemistry)

Synthesis and Characterization of Heterocycles with Potential Applications

edited by

Maria João Queiroz

submission deadline 31 Dec 2025 | Viewed by 90 | Submission Open

Keywords: heterocycles; synthesis; design; characterization; green methods; applications

(This special issue belongs to the Section Organic Chemistry)

Synthesis, Characterization and Anticancer Activities of Metal Complexes

edited by

Burgert Blom

submission deadline 31 Dec 2025 | Viewed by 86 | Submission Open

Keywords: in vitro activity; in vivo activity; metal complex; biological studies; anticancer activity; bimetallic complexes; mechanistic studies

(This special issue belongs to the Section Inorganic Chemistry)

Nanomaterials in Photochemical Devices: Advances and Applications

edited by

Braulio García-Cámara

submission deadline 31 Dec 2025 | Viewed by 85 | Submission Open

Keywords: nanomaterials; photochemistry; photocatalysis; nanoparticles; energy conversion; environmental remediation; biomedical applications; photoacoustic imaging

(This special issue belongs to the Section Photochemistry)

Nanoparticles for Environmental Applications

edited by

Marija B. Radoičić

submission deadline 31 Dec 2025 | Viewed by 81 | Submission Open

Keywords: environmental nanotechnology; water treatment; remediation; nanoparticles; pollution control; EMI shielding; ecotoxicology; green chemistry

(This special issue belongs to the Section Materials Chemistry)

Design and Application Based on Versatile Nano-Composites: Second Edition

edited by

Jingang Yu

submission deadline 31 Dec 2025 | Viewed by 76 | Submission Open

Keywords: nanoparticles; nanosheets; composites; preparation; application

(This special issue belongs to the Section Nanochemistry)

Bioactive Natural Product Compounds in Cancer Prevention and Therapy

edited by

Harinantenaina Liva Rakotondraibe

submission deadline 31 Dec 2025 | Viewed by 75 | Submission Open

Keywords: natural product; cytotoxic; bioactivity mechanism; cancer; drug discovery; drug delivery; chemoprevention

(This special issue belongs to the Section Natural Products Chemistry)

Synthesis, Properties, and Applications of Perovskite Nanocrystals and Their Composites

edited by

Qinggang Zhang

and Weilin Zheng

submission deadline 31 Dec 2025 | Viewed by 75 | Submission Open

Keywords: perovskite nanocrystals; composite nanomaterials; novel synthetic strategies; photoluminescence properties; stability enhancement mechanisms; perovskite LED; photovoltaics; other optoelectronic devices

(This special issue belongs to the Section Nanochemistry)

New Materials for Gas Capture and Conversion

edited by Jie Xu and Yuandong Yang

submission deadline 31 Dec 2025 | Viewed by 74 | Submission Open

Keywords: gas capture; gas conversion; novel sorbents; efficient catalysts; kinetic modelling; thermodynamic analysis; process simulation

(This special issue belongs to the Section Materials Chemistry)

Antimicrobial Peptide Assemblies

edited by

Wen Li

submission deadline 31 Dec 2025 | Viewed by 73 | Submission Open

Keywords: peptides; peptide hybrids; peptide conjugates; self-assembly; stimuli-responsiveness; antimicrobial activity

(This special issue belongs to the Section Chemical Biology)

Synthesis of Anticancer Agents for Targeted Therapy

edited by

Małgorzata Jeleń

submission deadline 31 Dec 2025 | Viewed by 73 | Submission Open

Keywords: organic synthesis of anticancer compounds; targeted cancer therapy; medicinal chemistry; structure– activity relationship (SAR); molecular-targeted therapy; drug development; chemotherapeutic agents; cell signaling pathways; monoclonal antibody; cancer-altered pathway

(This special issue belongs to the Section Medicinal Chemistry)

Phenotypic Screening for Drug Development and Discovery

edited by Xiang Li

submission deadline 31 Dec 2025 | Viewed by 68 | Submission Open

Keywords: phenotypic screening; drug discovery; target deconvolution; disease models; high-throughput screening; mechanism of action; translational research

(This special issue belongs to the Section Medicinal Chemistry)

Novel Nanomaterials for Photocatalysis

edited by

Joanna Kisała

Denisa Ficai

and

Gianluca Viscusi

submission deadline 31 Dec 2025 | Viewed by 68 | Submission Open

Keywords: photocatalyst synthesis; band gap engineering; enhanced light absorption; clean energy; advanced oxidation/reduction processes; self-cleaning coatings; photocatalysis reaction mechanisms; artificial photosynthesis

(This special issue belongs to the Section Photochemistry)

Functional Materials for Small Molecule Electrocatalysis

edited by

Feng Hu

, Linlin Li and Qingxue Lai

submission deadline 31 Dec 2025 | Viewed by 67 | Submission Open

Keywords: electrocatalysis; nanomaterials; electrochemical conversion of H2O; CO2 and N2

(This special issue belongs to the Section Nanochemistry)

Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 2nd Edition

edited by

Aleksandra Sentkowska

submission deadline 31 Dec 2025 | Viewed by 65 | Submission Open

Keywords: bioactive compounds; natural plant products; antioxidant activity; extraction methods; polyphenols; flavonoids

(This special issue belongs to the Section Natural Products Chemistry)

Advances in European Materials Chemistry

edited by

Ana Ines Fernandez Renna

Marinella Striccoli

and

Marco Anni

submission deadline 31 Dec 2025 | Viewed by 64 | Submission Open

Keywords: carbon-based materials; nanomaterials; nuclear materials; luminescent materials; textile materials; biomaterials; interfaces in material systems; hybrid organic– inorganic materials; thin films and coatings; self-assembling systems; nanocomposites; thermal behavior; durability

(This special issue belongs to the Section Materials Chemistry)

AI-Powered Biomolecular Modeling: Bridging Scales and Accelerating Discovery

edited by

Zhaoxi Sun

Jianzhong Chen

and Hui Wang

submission deadline 31 Dec 2025 | Viewed by 63 | Submission Open

Keywords: artificial intelligence; molecular simulations; machine learning; force field development; enhanced sampling; ab initio calculations

A Theme Issue in Honor of Professor Gary E. Martin's 75th Birthday

edited by R. Thomas Williamson and

Leonid B. Krivdin

submission deadline 31 Dec 2025 | Viewed by 62 | Submission Open

Keywords: NMR; pulse sequences; natural products; pharmaceuticals; anisotropic NMR; CASE; DFT

(This special issue belongs to the Section Bioorganic Chemistry)

Application of Vibrational Spectroscopy Coupled with Chemometric Tools

edited by

Ricardo N. M. J. Páscoa

submission deadline 31 Dec 2025 | Viewed by 60 | Submission Open

Keywords: vibrational spectroscopy; chemometrics; quantitative analysis; qualitative analysis; NIR spectroscopy; IR spectroscopy; Raman spectroscopy

(This special issue belongs to the Section Analytical Chemistry)

Feature Review Papers in Electrochemistry, 2nd Edition

edited by

Ram K. Gupta

and

César Augusto Correia de Sequeira

submission deadline 31 Dec 2025 | Viewed by 60 | Submission Open

Keywords: electrochemical science; electrochemical technology; environmental applications; new materials; energy conversion; energy storage; electrocatalysis; combined electrochemical technologies

(This special issue belongs to the Section Electrochemistry)

Exploring the Nanomaterials in Electrochemical Sensor: From Design to Application

edited by Hongbo Li and

Songbai Zhang

submission deadline 31 Dec 2025 | Viewed by 57 | Submission Open

Keywords: nanomaterials; metal– organic frameworks; quantum dots; covalent– organic frameworks; polymers; organic– inorganic nanocomposites; electrochemical sensors

(This special issue belongs to the Section Materials Chemistry)

Tailored Fluorescent Probes for Selective Recognition of Heavy Metal Species

edited by

Ying Hu

submission deadline 31 Dec 2025 | Viewed by 57 | Submission Open

Keywords: fluorescent probes; heavy metal detection; selective recognition; multi-target sensing; environmental monitoring; bioimaging; food safety; sensor design

(This special issue belongs to the Section Analytical Chemistry)

30th Anniversary of the MOF Concept

edited by

Jun Liang

and

Christoph Janiak

submission deadline 31 Dec 2025 | Viewed by 55 | Submission Open

Keywords: metal– organic frameworks; gas storage and separation; catalysis; drug delivery; sensing and detection; energy applications

(This special issue belongs to the Section Organometallic Chemistry)

Sustainable Approaches to Nanoparticle Synthesis: Toward a Greener and Safer Future

edited by

Vladimir Mihailovic

submission deadline 31 Dec 2025 | Viewed by 54 | Submission Open

Keywords: green synthesis of nanoparticles; sustainable nanotechnology; eco-friendly nanomaterials; biogenic nanoparticle synthesis; plant-mediated nanoparticle synthesis; microbial-assisted nanoparticle synthesis; renewable precursors in nanotechnology; low-toxicity nanomaterials; biological activities of green synthesized nanoparticles

(This special issue belongs to the Section Green Chemistry)

Plasma Catalysis Method in Catalytic Process

edited by

Sanchari Chowdhury

and Debtanu Maiti

submission deadline 31 Dec 2025 | Viewed by 54 | Submission Open

Keywords: catalysis; energy; plasma; surface interactions; mechanism; atmospheric plasma catalysis; plasma characterization; theory and modeling

(This special issue belongs to the Section Organic Chemistry)

Exclusive Feature Papers in Natural Products Chemistry, 3rd Edition

edited by

David Barker

and

Francesco Cacciola

submission deadline 31 Dec 2025 | Viewed by 52 | Submission Open

Keywords: natural products; plant secondary metabolism; phytochemical analysis; nutrients and bioactive compounds; bioaccessibility and bioavailability; antioxidant; anti-inflammatory; anticancer

(This special issue belongs to the Section Natural Products Chemistry)

Fluorescent Molecular Tools for Brain-Wide Neuroscience Research

edited by Sheng Xie

submission deadline 31 Dec 2025 | Viewed by 52 | Submission Open

Keywords: histochemical method; fluorescent probes; brain-wide 3D imaging; neuropathology; immunofluorescence labeling; transgenic labeling; small-fluorophore labeling; metallophilic labeling; virus-based labeling

(This special issue belongs to the Section Cross-Field Chemistry)

Plant-Derived Compounds: Biological Functions and Therapeutic Potential

edited by

Myongjo Kim

submission deadline 31 Dec 2025 | Viewed by 51 | Submission Open

Keywords: plant-derived bioactive compounds; natural products; phytochemicals; biological activities; extraction and isolation; molecular mechanisms; phytotherapic products; ethnopharmacology

Bioavailability of Bioactive Food Compounds

edited by

Sylwia Mildner-Szkudlarz

and

Maria Barbara Różańska

submission deadline 31 Dec 2025 | Viewed by 50 | Submission Open

Keywords: bioactivity; bioavailability; in vitro; metabolism; gastrointestinal models; dietary phytochemicals; food processing technology; non-thermal treatment

(This special issue belongs to the Section Food Chemistry)

A Special Issue Celebrating the 75th Birthday of Professor Massimo Stefani

edited by

Manuela Leri

and

Monica Bucciantini

submission deadline 31 Dec 2025 | Viewed by 48 | Submission Open

Keywords: protein aggregates; natural compounds; enzyme biochemistry; protein folding; misfolding; and aggregation; amyloid diseases; natural polyphenols; neurodegenerative disorders

(This special issue belongs to the Section Natural Products Chemistry)

Natural Extracts for Pharmaceutical Applications

edited by

Isabel S. Carvalho

submission deadline 31 Dec 2025 | Viewed by 45 | Submission Open

Keywords: natural compounds; phytochemicals; bioactive compounds; medicinal plants; phytopharmacology; antioxidant activity; anti-inflammatory; antimicrobial; antidiabetic; wound healing

(This special issue belongs to the Section Medicinal Chemistry)

Unique Heterocycles for Drug Discoveries

edited by

Xinghai Liu

submission deadline 31 Dec 2025 | Viewed by 44 | Submission Open

Keywords: heterocyclic compound; heterocyclic chemistry; medicinal chemistry; drug discovery; synthetic methodologies; drug design

(This special issue belongs to the Section Organic Chemistry)

Advances in Heterogeneous Catalysis for Green Chemistry

edited by Chen Li, Iwona Kuzniarska-Biernacka and

Liangchun Li

submission deadline 31 Dec 2025 | Viewed by 43 | Submission Open

Keywords: green chemistry; heterogeneous catalysis; photocatalysis; electrocatalysis; thermal catalysis

(This special issue belongs to the Section Green Chemistry)

Current Development Prospects of Novel Nanocatalysts

edited by Fengyu Gao

submission deadline 31 Dec 2025 | Viewed by 43 | Submission Open

Keywords: novel nanocatalysts; pollutant purification; environmental catalysis technology; precious metals; metal/alloys; metal oxides; non-metallic materials; environmental protection; gas purification; wastewater treatment; soil remediation; solid waste management; carbon neutrality

(This special issue belongs to the Section Green Chemistry)

Identification, Isolation, and Analysis of Phytochemicals from Plant-Derived Products

edited by

Lin Shi

and

Lu Yang

submission deadline 31 Dec 2025 | Viewed by 42 | Submission Open

Keywords: phytochemicals; structural identification; composition analysis; plant products; pharmacological experiment; herbal medicine

(This special issue belongs to the Section Natural Products Chemistry)

Chemopreventive Activity of Natural Products

edited by

Dimitrios Stagos

submission deadline 31 Dec 2025 | Viewed by 40 | Submission Open

Keywords: plant extracts; natural compounds; antioxidants; anticancer; polyphenols; ROS-induced DNA damage

(This special issue belongs to the Section Medicinal Chemistry)

The Role of Cannabinoids in Human Health

edited by

Christian Lehmann

submission deadline 31 Dec 2025 | Viewed by 38 | Submission Open

Keywords: cannabinoids; synthetic cannabinoids; human health

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis and Application of Nanomaterials for Bio-Based and Environmental Pollution Molecules Detection and Purification

edited by

Harshica Fernando

and Gina M. Chiarella

submission deadline 31 Dec 2025 | Viewed by 37 | Submission Open

Keywords: nano-enabled environmental cleanup; sustainable nanotechnology; toxic ion sequestration; environmental remediation; nano compound synthesis; green; eco-friendly nanomaterials as catalysis; water; food; and soil safety

(This special issue belongs to the Section Nanochemistry)

Recent Advances in Cannabis and Hemp Research—2nd Edition

edited by

Arjun H. Banskota

submission deadline 31 Dec 2025 | Viewed by 37 | Submission Open

Keywords: Cannabis sativa; hemp; cannabinoids; terpenes; phenolics; secondary metabolites; by-products; biological activity; protein; polysaccharide

(This special issue belongs to the Section Natural Products Chemistry)

Recent Advances on Biomass Conversion and CO₂ Valorization: Steeping towards a Circular Economy, 2nd Edition

edited by