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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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Chemical Conversion and Utilization of CO2
edited by Gang Li
submission deadline 31 Dec 2025 | Viewed by 364 | Submission Open
Keywords: CO2 utilization for green synthesis; photocatalytic CO2 utilization; C-H carboxylation with CO2; green synthetic methodology development; functional materials design for CO2 utilization
(This special issue belongs to the Section Organic Chemistry)
Functional Foods: Chemical Challenges and Opportunities
edited by Yan Zhang and Haixia Wu
submission deadline 31 Dec 2025 | Viewed by 343 | Submission Open
Keywords: functional foods; chemical stability; advanced extraction methods; chemical modification; chemical bioavailability; food safety
(This special issue belongs to the Section Food Chemistry)
Recent Research on Photocatalysis for Energy Storage and Conversion submission deadline 31 Dec 2025 | 1 articles | Viewed by 340 | Submission Open
Keywords: photocatalyst; photo/electrocatalyst; energy storage and conversion; photogenerated carrier; carbon neutrality; semiconductors
(This special issue belongs to the Section Photochemistry)
Plant-Derived Compounds: Biological Functions and Therapeutic Potential
edited by
submission deadline 31 Dec 2025 | Viewed by 335 | Submission Open
Keywords: plant-derived bioactive compounds; natural products; phytochemicals; biological activities; extraction and isolation; molecular mechanisms; phytotherapic products; ethnopharmacology
Propolis in Human and Bee Health—2nd Edition submission deadline 31 Dec 2025 | Viewed by 290 | 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)
A Special Issue Celebrating the 75th Birthday of Professor Massimo Stefani submission deadline 31 Dec 2025 | Viewed by 288 | 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)
Recent Advances in the Organic Synthesis of Bioactive Natural Compounds and Their Analogs submission deadline 31 Dec 2025 | Viewed by 285 | 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)
Exploring Schiff Base Ligands and Their Metal Complexes
edited by
submission deadline 31 Dec 2025 | Viewed by 270 | Submission Open
Keywords: schiff base ligands; complexes; X-ray structure; antimicrobial; antitumor; antiviral activity; catalysts
(This special issue belongs to the Section Inorganic Chemistry)
Exclusive Feature Papers in Natural Products Chemistry, 3rd Edition submission deadline 31 Dec 2025 | Viewed by 267 | 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)
Analytical Techniques in Environmental Chemistry, 2nd Edition
edited by
submission deadline 31 Dec 2025 | Viewed by 264 | Submission Open
Keywords: environmental analytical chemistry; contaminants; environmental impact assessment; analytical techniques; environmental pollution
(This special issue belongs to the Section Analytical Chemistry)
Plant-Based Bioactives and Sustainable Sources: Unlocking the Potential of Underutilized Resources submission deadline 31 Dec 2025 | Viewed by 246 | Submission Open
Keywords: valorization of agricultural and food processing by-products as sources of bioactives; extraction and purification techniques for plant-derived bioactive compounds; bioactive peptides and polyphenols from underutilized or wild plant species; functional and health-promoting properties of plant-based bioactives; sustainable biorefinery approaches for bioactive recovery; In vitro and in vivo evaluation of bioactivity (e.g.; antioxidant; anti-inflammatory; antimicrobial); applications in functional foods; nutraceuticals; and cosmeceuticals; environmental and economic assessments of sustainable bioactive sourcing
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Ammonia Synthesis
edited by Wenbo Gao
submission deadline 31 Dec 2025 | Viewed by 239 | Submission Open
Keywords: ammonia synthesis; heterogeneous catalysis; nitrogen activation; ammonia energy; reaction mechanism; photo/electrochemical ammonia synthesis
(This special issue belongs to the Section Applied Chemistry)
Natural Products as Antimicrobial and Antiviral Agents: From Extraction to Therapeutic Applications submission deadline 31 Dec 2025 | Viewed by 228 | Submission Open
Keywords: bioactive compounds; specialized metabolites; metabolomics; antiviral activity; antimicrobial activity; infectious diseases
(This special issue belongs to the Section Natural Products Chemistry)
Biodegradable Functional Copolymers, Second Edition
edited by
submission deadline 31 Dec 2025 | Viewed by 226 | Submission Open
Keywords: biodegradable (co)polymers; chemical functionalization; macromolecular synthesis; macromolecular bioconjugates; environmental and biomedical applications; targeted drug delivery; tissue engineering
(This special issue belongs to the Section Macromolecular Chemistry)
AI-Powered Biomolecular Modeling: Bridging Scales and Accelerating Discovery
edited by , and Hui Wang
submission deadline 31 Dec 2025 | Viewed by 222 | Submission Open
Keywords: artificial intelligence; molecular simulations; machine learning; force field development; enhanced sampling; ab initio calculations
Exploring Heterocyclic Compounds: Design, Synthesis and Medicinal Chemistry Applications submission deadline 31 Dec 2025 | Viewed by 222 | 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)
Innovative Nanostructures for Energy and Environmental Applications submission deadline 31 Dec 2025 | Viewed by 220 | Submission Open
Keywords: nanostructures; energy conversion; environmental applications; quantum dots; nanowires; graphene; MXenes; metal nitrides; 2D materials; 3D materials; sustainable energy; pollutant removal; synthesis techniques; adsorbents; water purification; sustainable materials; green energy technologies; advanced nanomaterials; multifunctional materials; hydrogen production; catalysis
(This special issue belongs to the Section Materials Chemistry)
The Synthesis and Application of Rare-Earth-Doped Luminescent Materials
edited by and Rui Wang
submission deadline 31 Dec 2025 | Viewed by 215 | Submission Open
Keywords: luminescent materials; molecular design; luminescent mechanisms and processes; display; lighting; detection
(This special issue belongs to the Section Materials Chemistry)
Artificial Intelligence Driving Transformative Advances in Food Science and Technology submission deadline 31 Dec 2025 | Viewed by 215 | Submission Open
Keywords: food sustainability; artificial intelligence; food processes optimization; functional foods; food safety; individualized nutrition
(This special issue belongs to the Section Food Chemistry)
Synthesis, Characterization and Anticancer Activities of Metal Complexes
edited by
submission deadline 31 Dec 2025 | Viewed by 214 | 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)
Synthesis of Anticancer Agents for Targeted Therapy
edited by
submission deadline 31 Dec 2025 | Viewed by 211 | 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)
Synthesis and Characterization of Heterocycles with Potential Applications submission deadline 31 Dec 2025 | Viewed by 206 | Submission Open
Keywords: heterocycles; synthesis; design; characterization; green methods; applications
(This special issue belongs to the Section Organic Chemistry)
Natural Extracts for Pharmaceutical Applications
edited by
submission deadline 31 Dec 2025 | Viewed by 204 | 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)
Bioactive Natural Product Compounds in Cancer Prevention and Therapy submission deadline 31 Dec 2025 | Viewed by 198 | Submission Open
Keywords: natural product; cytotoxic; bioactivity mechanism; cancer; drug discovery; drug delivery; chemoprevention
(This special issue belongs to the Section Natural Products Chemistry)
Novel Nanomaterials for Photocatalysis submission deadline 31 Dec 2025 | Viewed by 194 | 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)
Bioactive Compounds in Cosmetic Applications
edited by
submission deadline 31 Dec 2025 | Viewed by 191 | Submission Open
Keywords: bioactive compounds; peptides; herbal extract; biofermentates; upcycling; skin well-being; in vitro tests; efficacy testing
(This special issue belongs to the Section Natural Products Chemistry)
The Therapeutic Potential of Natural and Synthetic Anti-Inflammatories
edited by , and Wendeo Kennedy Costa
submission deadline 31 Dec 2025 | Viewed by 185 | Submission Open
Keywords: anti-inflammatory agents; bioactive compounds; drug discovery; phytochemicals; chronic inflammation; inflammation; medicinal chemistry
(This special issue belongs to the Section Natural Products Chemistry)
Advances in European Materials Chemistry submission deadline 31 Dec 2025 | Viewed by 178 | 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)
Recent Advances in Medicinal Chemistry in Asia
edited by and Jinfei Yang
submission deadline 31 Dec 2025 | Viewed by 177 | Submission Open
Keywords: drug design; drug discovery; lead compounds; anticancer agents; antiviral agents; antidiabetic agents; CNS agents
(This special issue belongs to the Section Medicinal Chemistry)
Synthesis, Properties, and Applications of Perovskite Nanocrystals and Their Composites
edited by and Weilin Zheng
submission deadline 31 Dec 2025 | Viewed by 176 | 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)
Circular Economy: Agri-Food Byproducts as Source of Bioactive Compounds, 2nd Edition submission deadline 31 Dec 2025 | Viewed by 175 | 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)
10th Anniversary of Organometallic Chemistry Section submission deadline 31 Dec 2025 | Viewed by 173 | Submission Open
Keywords: transition metal complexes; metal dyes; metal based-drugs; catalysis; metal compounds in therapy; materials science
(This special issue belongs to the Section Organometallic Chemistry)
Antimicrobial Peptide Assemblies
edited by
submission deadline 31 Dec 2025 | Viewed by 171 | Submission Open
Keywords: peptides; peptide hybrids; peptide conjugates; self-assembly; stimuli-responsiveness; antimicrobial activity
(This special issue belongs to the Section Chemical Biology)
A Theme Issue in Honor of Professor Gary E. Martin's 75th Birthday
edited by R. Thomas Williamson and
submission deadline 31 Dec 2025 | Viewed by 170 | Submission Open
Keywords: NMR; pulse sequences; natural products; pharmaceuticals; anisotropic NMR; CASE; DFT
(This special issue belongs to the Section Bioorganic Chemistry)
Phenotypic Screening for Drug Development and Discovery
edited by Xiang Li
submission deadline 31 Dec 2025 | Viewed by 168 | 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)
Molecular Dynamics for Chemical Reactions
edited by
submission deadline 31 Dec 2025 | Viewed by 168 | Submission Open
Keywords: ab initio molecular dynamics; reactive dynamics; highly reactive systems
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Unique Heterocycles for Drug Discoveries
edited by
submission deadline 31 Dec 2025 | Viewed by 162 | Submission Open
Keywords: heterocyclic compound; heterocyclic chemistry; medicinal chemistry; drug discovery; synthetic methodologies; drug design
(This special issue belongs to the Section Organic Chemistry)
Application of Vibrational Spectroscopy Coupled with Chemometric Tools submission deadline 31 Dec 2025 | Viewed by 157 | 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)
Design, Synthesis and Applications of Fluorescent Probes
edited by and
submission deadline 31 Dec 2025 | Viewed by 153 | Submission Open
Keywords: fluorescent probes; bioimaging; design synthesis; molecular imaging; cell biology; disease mechanisms; diagnostic imaging; drug discovery; biocompatibility
(This special issue belongs to the Section Medicinal Chemistry)
Applications of Natural Polymers in Biomedicine submission deadline 31 Dec 2025 | Viewed by 152 | Submission Open
Keywords: polymer biomaterials; biopolymers; proteins; polysaccharides; gels; hydrogels; scaffolds; films
(This special issue belongs to the Section Medicinal Chemistry)
Natural Products for Chronic Disease: Mechanisms and Applications
edited by and
submission deadline 31 Dec 2025 | Viewed by 150 | Submission Open
Keywords: natural products; chronic diseases; mechanism; herbal compound; drug delivery system; molecular modification
(This special issue belongs to the Section Natural Products Chemistry)
Feature Review Papers in Electrochemistry, 2nd Edition submission deadline 31 Dec 2025 | Viewed by 148 | 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)
Synthesis and Application of Chalcogen-Containing Organic Compounds submission deadline 31 Dec 2025 | Viewed by 148 | Submission Open
Keywords: organoselenium compounds; organotellurium compounds; organosulfur compounds; electrophilic chalcogenation; nucleophilic chalcogenation; organochalcogen compounds in material science; elemental chalcogen; C– X bond formation (X = S; Se; Te); pharmacological properties
(This special issue belongs to the Section Organic Chemistry)
Bioavailability of Bioactive Food Compounds submission deadline 31 Dec 2025 | Viewed by 143 | 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)
Synthesis and Application of Nanomaterials for Bio-Based and Environmental Pollution Molecules Detection and Purification
edited by and Gina M. Chiarella
submission deadline 31 Dec 2025 | Viewed by 140 | 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)
Advances in Heterogeneous Catalysis for Green Chemistry
edited by Chen Li, and
submission deadline 31 Dec 2025 | Viewed by 138 | Submission Open
Keywords: green chemistry; heterogeneous catalysis; photocatalysis; electrocatalysis; thermal catalysis
(This special issue belongs to the Section Green Chemistry)
Transition Metal Complexes in Cancer Therapy: Beyond Platinum
edited by Wai Lun Man
submission deadline 31 Dec 2025 | Viewed by 136 | Submission Open
Keywords: anticancer drugs; transition metal complexes; inorganic chemistry; medicinal chemistry; chemotherapy
(This special issue belongs to the Section Cross-Field Chemistry)
Tailored Fluorescent Probes for Selective Recognition of Heavy Metal Species
edited by
submission deadline 31 Dec 2025 | Viewed by 135 | 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)
Plasma Catalysis Method in Catalytic Process
edited by and Debtanu Maiti
submission deadline 31 Dec 2025 | Viewed by 132 | 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)
Current Development Prospects of Novel Nanocatalysts
edited by Fengyu Gao
submission deadline 31 Dec 2025 | Viewed by 131 | 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)
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