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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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Development and Application of Agricultural Biostimulants
edited by
submission deadline 30 Nov 2026 | Viewed by 158 | Submission Open
Keywords: agricultural biostimulants; bioactive compounds; design and synthesis; structure–activity relationships; chemical characterization; metabolite profiling; natural compounds; green chemistry
Advanced Self-Healing Polymers
edited by and
submission deadline 30 Nov 2026 | Viewed by 157 | Submission Open
Keywords: self-healing polymers; dynamic covalent chemistry; supramolecular interactions; vitrimers; healing kinetics; multi-stimuli responsiveness; structure–property–healing relationship
(This special issue belongs to the Section Materials Chemistry)
Gas-Phase Molecular Spectroscopy
edited by
submission deadline 30 Nov 2026 | Viewed by 152 | Submission Open
Keywords: high-resolution molecular spectra; high-resolution experimental techniques; theory of molecular spectra; theory of molecular structure; effective Hamiltonians; quantum chemistry calculations; atmospheric applications; astrophysical applications
(This special issue belongs to the Section Cross-Field Chemistry)
Nanostructured Graphene-Based Composites for Advanced Electrochemical Energy Storage Systems
edited by
submission deadline 30 Nov 2026 | Viewed by 149 | Submission Open
Keywords: supercapacitor; graphene-based materials; Na-ion batteries, composites; transition metal compounds; aqueous batteries; hybrid capacitors
(This special issue belongs to the Section Nanochemistry)
Bioactive Compounds from Plants: From Discovery to Biomedical Application
edited by
submission deadline 30 Nov 2026 | Viewed by 149 | Submission Open
Keywords: plant bioactive extracts; plant by-products; bioactive compounds; phytochemicals; extraction; biomedical applications
(This special issue belongs to the Section Natural Products Chemistry)
Modern Perspectives on Non-Covalent Interactions in Molecular Systems
edited by
submission deadline 30 Nov 2026 | Viewed by 147 | Submission Open
Keywords: datasets of non-covalent interactions; high-level electron correlation calculations; density functional theory; machine learning techniques; molecular self-assembly; van der Waals complexes; REMPI and hole burning spectroscopy; electronic excited and ionic states; surface adsorption, diffusion, and reaction; vibration rotation tunneling spectroscopy; ZEKE spectroscopy
(This special issue belongs to the Section Physical Chemistry)
Advances in the Research of Perovskite Solar Cells
edited by Teng Zhang and
submission deadline 30 Nov 2026 | Viewed by 146 | Submission Open
Keywords: perovskite solar cells; crystallization regulation; nucleation kinetics; defect passivation; scalable fabrication; crystallization mechanism
(This special issue belongs to the Section Materials Chemistry)
Real-World Challenges for Perovskite Materials and Corresponding Solar Cells
edited by
submission deadline 30 Nov 2026 | Viewed by 146 | Submission Open
Keywords: perovskite structures; photovoltaics; photodetection; photoluminescence; nonlinear optics; stability
(This special issue belongs to the Section Materials Chemistry)
Green Analytical Chemistry: Advanced Separation and Analysis Techniques
edited by and Liliana Patricia Fernández
submission deadline 30 Nov 2026 | Viewed by 145 | Submission Open
Keywords: green chemistry; separation techniques; sensors; emerging contaminants; molecular spectroscopies; biological and environmental samples; atomic spectroscopies
(This special issue belongs to the Section Analytical Chemistry)
Chemical Design and Functional Properties of Ferroelectric and Multiferroic Materials submission deadline 30 Nov 2026 | Viewed by 139 | Submission Open
Keywords: ferroelectric materials; chemical design; polarization switching; defect engineering; thin films; heterostructures; energy storage; functional oxides
(This special issue belongs to the Section Materials Chemistry)
Deep Learning for Bioinformatics Application
edited by
submission deadline 30 Nov 2026 | Viewed by 122 | Submission Open
Keywords: deep learning; artificial neural networks; graph neural networks; representation learning; generative models; structural bioinformatics; molecular computing; protein structure prediction; drug discovery
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Physicochemical and Thermodynamic Aspects of Advanced Materials
edited by
submission deadline 30 Nov 2026 | Viewed by 118 | Submission Open
Keywords: nanomaterials; surface functionalization; thermodynamic properties; drug delivery; stimuli-responsive systems; biomolecular interactions; biointerface interactions
(This special issue belongs to the Section Physical Chemistry)
Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis—2nd Edition
edited by Niko Radulović and
submission deadline 30 Nov 2026 | Viewed by 118 | Submission Open
Keywords: natural product chemistry; phytochemistry and essential oils; isolation and structural elucidation; chromatographic techniques (GC, HPLC, etc.); mass spectrometry (GC-MS, LC-MS, etc.); NMR spectroscopy; analytical chemistry; synthetic and semi-synthetic methods; bioactive compounds and biological activity; medicinal and aromatic plants; chemotaxonomy; chemical ecology and plant defense mechanisms; biotechnological applications; structure–activity relationships (SAR); biomimetic synthesis
(This special issue belongs to the Section Natural Products Chemistry)
Functional Materials for Gas Separation and Water Treatment
edited by
submission deadline 30 Nov 2026 | Viewed by 108 | Submission Open
Keywords: adsorption materials and processes; catalytic degradation and conversion; membrane separation; advanced porous frameworks (MOFs, COFs, HOFs, zeolites); materials synthesis and functionalization; pore architecture and molecular design; artificial intelligence for material discovery
(This special issue belongs to the Section Applied Chemistry)
Coumarin-Based Compounds as Multifunctional Anticancer Agents
edited by
submission deadline 30 Nov 2026 | Viewed by 61 | Submission Open
Keywords: coumarin; anticancer agents; apoptosis; multitargeting; natural products; drug discovery; in vivo models; structure–activity relationship
(This special issue belongs to the Section Medicinal Chemistry)
Terpenes, Steroids and Their Derivatives, 3rd Edition
edited by
submission deadline 1 Dec 2026 | Viewed by 438 | Submission Open
Keywords: terpene and steroid chemistry, biochemistry, repurposing, and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal, as well as cosmetic, utilization; fluorescent labelling; bio-imaging
Next-Generation Methods for Pesticide Residue Detection
edited by and
submission deadline 1 Dec 2026 | Viewed by 252 | Submission Open
Keywords: pesticide residue analysis; advanced detection techniques; food and environmental safety; sample pretreatment; microextraction techniques; green analytical chemistry
(This special issue belongs to the Section Analytical Chemistry)
Design and Application of Luminescent Compounds submission deadline 10 Dec 2026 | Viewed by 274 | Submission Open
Keywords: luminescent compounds; molecular design; photophysical properties; structure–property relationships; coordination complexes; functional materials; optical application
(This special issue belongs to the Section Photochemistry)
Design, Synthesis, and Theoretical Studies of Enzyme Inhibitors submission deadline 14 Dec 2026 | 2 articles | Viewed by 6851 | Submission Open
Keywords: enzyme inhibitors; molecular docking; drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Components in Plants: Extraction, Characterization and Antioxidant Activity
edited by
submission deadline 15 Dec 2026 | 1 articles | Viewed by 1890 | Submission Open
Keywords: bioactive compounds; plant extracts; extraction of bioactives; polyphenols; chemical characterization; antioxidant activity; green chemistry
(This special issue belongs to the Section Natural Products Chemistry)
NMR Spectroscopy in Medical Diagnosis and Precision Medicine: Current Trends and Future Directions submission deadline 15 Dec 2026 | Viewed by 714 | Submission Open
Keywords: NMR spectroscopy; metabolomics; lipidomics; biomarkers; medical diagnosis; precision medicine
(This special issue belongs to the Section Applied Chemistry)
Characterization, Quality, and Authenticity of Olive Products: A Themed Issue in Honor of Professor Emerita Maria Z. Tsimidou submission deadline 15 Dec 2026 | Viewed by 571 | Submission Open
Keywords: olive oil; table olives; olive by-products; bioactive compounds; authenticity and quality markers; molecular and metabolomics characterization; food contaminants (MOHs and PAHs); analytical methods; antioxidant activity; food fraud; climate change effects; valorization
(This special issue belongs to the Section Food Chemistry)
Bioactive Compounds and Biological Activity of Plants from the Cerrado and Amazon
edited by Paula Becker Pertuzatti, and Julia Teixeira De Paula
submission deadline 15 Dec 2026 | Viewed by 364 | Submission Open
Keywords: Cerrado plants; Amazon plants; natural products; sustainable biodiversity; health benefits; extraction and characterization
(This special issue belongs to the Section Natural Products Chemistry)
Biologically Active Nitrogen-Containing Heterocyclic Compounds
edited by and Sara Janowska
submission deadline 15 Dec 2026 | Viewed by 362 | Submission Open
Keywords: nitrogen-containing heterocyclic compounds; biological activity; drug design; molecular docking; synthesis; structure–activity relationship (SAR); medicinal chemistry; bioactive molecule
(This special issue belongs to the Section Medicinal Chemistry)
Featured Review Papers in Green Chemistry
edited by
submission deadline 15 Dec 2026 | Viewed by 310 | Submission Open
Keywords: green catalysts; green extraction and processing; chemistry based on natural products; bio-based solvents with sub- and super-critical fluids; microwave and ultrasound; organic reaction in green solvents; bioconversion of biomass and sustainable biomaterials; creating fine chemicals and polymers from renewable resources; green nanotechnology; green analytical chemistry; green degradation process
(This special issue belongs to the Section Green Chemistry)
Perovskite-Based Mixed Oxide Catalysts for Environmental and Industrial Applications submission deadline 15 Dec 2026 | Viewed by 101 | Submission Open
Keywords: perovskite-type materials; heterogeneous catalysis; environmental remediation; energy conversion and storage
(This special issue belongs to the Section Materials Chemistry)
Oxidative Stress and Cancer Therapy: Molecular Mechanisms, Drug Delivery, and Therapeutic Response
edited by
submission deadline 16 Dec 2026 | 1 articles | Viewed by 1087 | Submission Open
Keywords: oxidative stress; reactive oxygen species; ROS; cancer therapy; anticancer agents; lipid peroxidation; ferroptosis; chemoresistance; drug resistance; antioxidant defense; redox signaling; redox homeostasis; drug delivery; nanomedicine; targeted delivery; combination therapy; immunogenic cell death; redox active compounds; natural products; therapeutic response
(This special issue belongs to the Section Chemical Biology)
Bioactive Natural Products: The Potential Sources of New Drugs submission deadline 20 Dec 2026 | 3 articles | Viewed by 4515 | Submission Open
Keywords: bioactive natural compounds; chemical characterization and optimization; bioactive natural products’ safety; cytotoxicity; bioactive natural products’ mechanisms of action; biological activities in vitro and in vivo; chronic diseases; bioactive natural product in non-communicable diseases-chronic inflammation/chronic stress/drug discovery/anticancer
(This special issue belongs to the Section Natural Products Chemistry)
Characterization of Organic Ligands: Correlations Between Results by Electrochemistry and Other Methods
edited by Eleonora-Mihaela Ungureanu
submission deadline 20 Dec 2026 | 2 articles | Viewed by 1591 | Submission Open
Keywords: connections; electrochemical experiments; characterization of organic ligands; DFT calculations of ligand properties; optical methods; electrochemical methods; surface characterization methods (SEM, AFM, Raman, etc.); analytical methods
(This special issue belongs to the Section Applied Chemistry)
Elemental Analysis and Determination for Food and Environmental Samples
edited by Kelly das Graças Fernandes Dantas and
submission deadline 20 Dec 2026 | 1 articles | Viewed by 927 | Submission Open
Keywords: spectroanalytical techniques; mineral composition; sample preparation; essential elements; toxic elements; food safety; nutritional analysis; environmental monitoring
(This special issue belongs to the Section Analytical Chemistry)
AI in Materials Design and Discovery
edited by Guanjie Wang
submission deadline 20 Dec 2026 | 1 articles | Viewed by 893 | Submission Open
Keywords: materials informatics; materials large language model and agent; explainable machine learning; computational materials science; high-throughput screening; molecules inverse design; structure–property relationships; data-driven discovery
(This special issue belongs to the Section Materials Chemistry)
Terpenoids: Chemistry, Structural Diversity, and Biological Activities
edited by and Valentina Parisi
submission deadline 20 Dec 2026 | Viewed by 200 | Submission Open
Keywords: terpenoids; chemical diversity; specialised metabolites; drug discovery; plant-derived compounds; biological activity; biotechnology; metabolomics
(This special issue belongs to the Section Natural Products Chemistry)
Rare Earth Materials: From Design to Applications
edited by Meng Ju
submission deadline 20 Dec 2026 | Viewed by 196 | Submission Open
Keywords: rare earth; crystal structure; spectral characteristic; luminescence; energy conversion; electronic properties; optical communications
(This special issue belongs to the Section Applied Chemistry)
Functional Supramolecular Gels: Design, Dynamics, and Applications submission deadline 20 Dec 2026 | Viewed by 178 | Submission Open
Keywords: hydrogels; organogels; ionogels; hybrid supramolecular gels; gel properties; gel applications
(This special issue belongs to the Section Materials Chemistry)
Nanomaterials in Photochemical Devices: Advances and Applications submission deadline 30 Dec 2026 | 3 articles | Viewed by 5006 | Submission Open
Keywords: nanomaterials; photochemistry; photocatalysis; nanoparticles; energy conversion; environmental remediation; biomedical applications; photoacoustic imaging
(This special issue belongs to the Section Photochemistry)
Advancement in Natural and Novel Antimicrobial Agents submission deadline 30 Dec 2026 | 3 articles | Viewed by 1667 | Submission Open
Keywords: bacterial priority list; antimicrobial resistance; natural compounds; novel antibacterial agents; synthetic antimicrobial compounds; extraction; synthesis; antimicrobial activity
(This special issue belongs to the Section Medicinal Chemistry)
Recent Research Advances in Green Extraction of Natural Products submission deadline 30 Dec 2026 | 1 articles | Viewed by 794 | Submission Open
Keywords: sustainable chemistry; natural products; bio-based solvents; process intensification; sustainable extraction technologies; biomass valorization
(This special issue belongs to the Section Natural Products Chemistry)
Phenolic Composition and Antioxidant Activity of Natural Products submission deadline 30 Dec 2026 | 1 articles | Viewed by 731 | Submission Open
Keywords: metabolomics; extracts; phenolic compounds; antioxidants; plants; fungi; lichens; phytotherapy
(This special issue belongs to the Section Natural Products Chemistry)
Ab-Initio Molecular Dynamics Studies of Chemical Reactions in the Gas Phase, Condensed Phases and Interfaces
edited by Robert Benny Gerber and Imon Mandal
submission deadline 30 Dec 2026 | 1 articles | Viewed by 629 | Submission Open
Keywords: ab initio molecular dynamics; chemical reactions; reaction mechanism and dynamics; potential energy surfaces; trajectories
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Ingredients in Foods: Delivery, Stabilization, and Functionality submission deadline 30 Dec 2026 | Viewed by 282 | Submission Open
Keywords: antioxidant capacity; bioactive compounds; bioactive nutrients; carotenoids; food matrix; functional food; health benefits; natural sources; phytochemicals; polyphenols
(This special issue belongs to the Section Food Chemistry)
Advanced Techniques for the Chemical Analysis and Removal of Environmental Pollutants
edited by Anca-Iulia Stoica
submission deadline 30 Dec 2026 | Viewed by 140 | Submission Open
Keywords: pollutant monitoring; emerging contaminants; advanced techniques; removal of pollutants; eco-friendly treatments; nature-based solutions; environmental management
Sustainable Electrochemical Platforms for Clinical and Environmental Determination submission deadline 30 Dec 2026 | Viewed by 131 | Submission Open
Keywords: sustainable electrochemistry; electrochemical biosensors; environmental monitoring; green synthesis; point-of-care diagnostics; biomass-derived carbon; emerging pollutants; nanocomposites; screen-printed electrodes; molecular detection
(This special issue belongs to the Section Electrochemistry)
Novel Polymer Materials for Environmental Applications submission deadline 30 Dec 2026 | Viewed by 128 | Submission Open
Keywords: bioplastics; polymer biocomposites; ecological packaging; polymer waste recovery; microplastics; photocatalytic polymers; conductive polymers; polymeric membranes; biodegradation of polymers
(This special issue belongs to the Section Materials Chemistry)
Drug Discovery Based on Non-Mammalian Models
edited by
submission deadline 30 Dec 2026 | Viewed by 127 | Submission Open
Keywords: disease models; drug discovery; zebrafish; drosophila melanogaster; caenorhabditis elegans
(This special issue belongs to the Section Medicinal Chemistry)
30th Anniversary of Molecules—Recent Advances in Organic Chemistry
edited by , Antonia Di Mola and
submission deadline 31 Dec 2026 | 23 articles | Viewed by 34613 | Submission Open
Keywords: organic synthesis; organic chemistry research; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
30th Anniversary of Molecules—Recent Advances in Chemical Biology submission deadline 31 Dec 2026 | 13 articles | Viewed by 28478 | Submission Open
Keywords: bioorthogonal chemistry; peptides; nucleic acids; proteins; analytical methods; chemical inhibitors; chemical probe; ubiquitination; structure-activity relationship
(This special issue belongs to the Section Chemical Biology)
30th Anniversary of Molecules: Recent Advances and the Next in Macromolecular Chemistry submission deadline 31 Dec 2026 | 10 articles | Viewed by 27872 | Submission Open
Keywords: macromolecular chemistry; synthetic polymers; natural polymers; polymerization mechanisms and kinetics; supramolecular self-assembly; biological macromolecules
(This special issue belongs to the Section Macromolecular Chemistry)
30th Anniversary of Molecules—Recent Advances in Food Chemistry
edited by and Marta Coelho
submission deadline 31 Dec 2026 | 22 articles | Viewed by 25239 | Submission Open
Keywords: functional foods; nutraceuticals; bioactive compounds; analytical techniques; by-products; food chemistry
(This special issue belongs to the Section Food Chemistry)
Featured Review Papers in Food Chemistry—2nd Edition
edited by
submission deadline 31 Dec 2026 | 7 articles | Viewed by 22829 | Submission Open
Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security
(This special issue belongs to the Section Food Chemistry)
Advances in Coordination Chemistry, 3rd Edition
edited by Juan Niclós-Gutiérrez and
submission deadline 31 Dec 2026 | 8 articles | Viewed by 20743 | Submission Open
Keywords: synthesis strategies for novel coordination compounds; coordination compounds with tailor-made ligands for specific applications; coordination compounds with multitopic ligands; single-crystal XRD structures and dimensionality of metal complexes; metal–organic frameworks and their applications; molecular recognition in mixed ligand–metal complexes at the molecular and/or supra-molecular levels; model metal complexes from the bioinorganic frontier of biological chemistry; DFT and other theoretical approaches for inter-ligand interactions in metal complexes
(This special issue belongs to the Section Inorganic Chemistry)
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