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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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Synthesis and Derivatization of Heterocyclic Compounds
edited by Philipp Natho and
submission deadline 31 Jan 2026 | 2 articles | Viewed by 3288 | Submission Open
Keywords: heterocyclic compounds; spirocyclic compounds; enabling technology; synthetic methodologies; strained heterocycles; medicinal chemistry; fused compounds
(This special issue belongs to the Section Organic Chemistry)
Crystal Structures of Tricky, Unexpected, Labile or Difficult Molecular Structures by Diffraction Methods
edited by
submission deadline 31 Jan 2026 | 2 articles | Viewed by 3214 | Submission Open
Keywords: molecular structures; single-crystal diffraction; powder diffraction; unexpected reactions; labile compounds; intermediates; crystallography; molecular complexes; multi-technique approaches
(This special issue belongs to the Section Molecular Structure)
Methods and Applications of Cycloaddition Reactions
edited by
submission deadline 31 Jan 2026 | 2 articles | Viewed by 2509 | Submission Open
Keywords: cycloaddition reactions; organic synthesis; quantum– chemical calculations; cycloaddition in medicinal chemistry; cycloaddition in polymer chemistry; cycloaddition in materials science; bioactive compounds; click chemistry
(This special issue belongs to the Section Organic Chemistry)
Green Chemistry Strategies for the Production of Biofuels and Biochemicals from Biomass submission deadline 31 Jan 2026 | 1 articles | Viewed by 2235 | Submission Open
Keywords: green chemistry; biomass; biorefinery; bioeconomy; byproduct
(This special issue belongs to the Section Green Chemistry)
New Insights in Electrode Materials for Energy Storage and Electrocatalysis submission deadline 31 Jan 2026 | 1 articles | Viewed by 2211 | Submission Open
Keywords: biomass-derived carbon; transitional metal oxides/sulfides; supercapacitor; oxygen evolution reaction (OER); hydrogen evolution reaction (HER); oxygen reduction reaction (ORR)
(This special issue belongs to the Section Electrochemistry)
Natural Products with Pharmaceutical Activities, 2nd Edition
edited by and
submission deadline 31 Jan 2026 | 3 articles | Viewed by 1929 | Submission Open
Keywords: bioactive compounds; drug discovery; natural product chemistry; pharmacological evaluation; structure– activity relationship
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Gel Materials: Synthesis, Characterization and Applications
edited by Nina Danchova and
submission deadline 31 Jan 2026 | 1 articles | Viewed by 1926 | Submission Open
Keywords: advanced gels; aerogels; hybrid gels; composites; selective sorbents; energy storage; environmental protection; optical materials
(This special issue belongs to the Section Cross-Field Chemistry)
Advances in Textile Coloration and Finishing for Sustainable and Smart Textiles
edited by
submission deadline 31 Jan 2026 | 1 articles | Viewed by 1902 | Submission Open
Keywords: sustainable dyeing; eco-friendly dyes; functional finishing; smart textiles; green finishing processes
Computational Study and Molecular Modeling in Materials Chemistry
edited by , and Kerry Wrighton-Araneda
submission deadline 31 Jan 2026 | 1 articles | Viewed by 1737 | Submission Open
Keywords: computational materials; materials design; molecular modeling; quantum mechanical calculations; molecular dynamics simulations; molecular properties; molecular interactions
(This special issue belongs to the Section Materials Chemistry)
Synthesis, Crystal Structure, and Application of Schiff Base Complexes submission deadline 31 Jan 2026 | 1 articles | Viewed by 1720 | Submission Open
Keywords: Schiff base; metal complexes; coordination compounds; applications; crystal structure
(This special issue belongs to the Section Organometallic Chemistry)
Advances in Medicinal Chemistry for Age-Related Diseases
edited by
submission deadline 31 Jan 2026 | 1 articles | Viewed by 1558 | Submission Open
Keywords: age-related diseases; neurodegenerative diseases; cardiovascular diseases; bioactive molecules; biomolecules; synthesis; computational studies; medicinal chemistry; chemical biology; drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Emerging Trends in Microextraction Techniques for Bioanalytical Applications submission deadline 31 Jan 2026 | 2 articles | Viewed by 1476 | Submission Open
Keywords: sorbent-based microextraction (i.e.; solid phase microextraction (SPME); matrix solid phase dispersion (MSPD); pipette-tip micro solid phase extraction; fabric sorptive phase extraction (FPSE); capsule phase microextraction (CPME); stir bar sorptive extraction (SBSE); etc.); liquid-phase microextraction (dispersive liquid– liquid microextraction; single-drop microextraction; electromembrane extraction; etc.); automation; new materials/sorbents (MOF; COFs; nanomaterials; conductive polymers; magnetic materials; etc.); miniaturization in sample preparation
(This special issue belongs to the Section Analytical Chemistry)
Progress in CO2 Storage Materials
edited by and Tianshan Xue
submission deadline 31 Jan 2026 | 1 articles | Viewed by 1445 | Submission Open
Keywords: carbon capture and storage; mineral carbonation; CO2  sorbents; metal-organic frameworks; porous polymers; catalytic conversion
Advances in Oxide-Based Materials for (Photo)Catalysis submission deadline 31 Jan 2026 | 1 articles | Viewed by 1419 | Submission Open
Keywords: oxide-based materials; catalytic materials; synthesis methods; characterization techniques; photocatalysis; heterostructures; sustainable photocatalysis
(This special issue belongs to the Section Photochemistry)
Rare Earth Luminescent Materials and Complexes: Structure, Properties and Applications
edited by , and Vladimira S. Videva
submission deadline 31 Jan 2026 | 1 articles | Viewed by 1357 | Submission Open
Keywords: rare earth elements; lanthanide complexes; luminescent materials; photophysical properties; upconversion; downshifting; coordination compounds; hybrid materials; optical materials; bioimaging; photonics; sensing; nanomaterials; structure– property relationships
(This special issue belongs to the Section Photochemistry)
Advances in the Preparation and Application of Cellulose
edited by and Chengliang Duan
submission deadline 31 Jan 2026 | 1 articles | Viewed by 903 | Submission Open
Keywords: cellulose; chemical modification; nanofibers; physical modification; biological modification; preparation; application; composite materials
(This special issue belongs to the Section Materials Chemistry)
Green Chemistry and Molecular Tools in Agriculture submission deadline 31 Jan 2026 | 2 articles | Viewed by 878 | Submission Open
Keywords: sustainable agriculture; green chemistry; agri-food by-products; bioactive compounds; biostimulants; circular economy; molecular tools; eco-friendly agrochemicals; soil health; precision agriculture
(This special issue belongs to the Section Green Chemistry)
Modern Trends of Biocatalysis in Organic Chemistry and Enzyme Engineering—3rd Edition
edited by and
submission deadline 31 Jan 2026 | 1 articles | Viewed by 761 | Submission Open
Keywords: enzyme engineering; biocatalytic promiscuity; enzyme immobilization; directed evolution; biocatalysis; enzymatic reactions
(This special issue belongs to the Section Bioorganic Chemistry)
Recent Advances in Synthesis of Antiviral Compounds
edited by and Francesco Saccoliti
submission deadline 31 Jan 2026 | Viewed by 750 | Submission Open
Keywords: antiviral; drug design; medicinal chemistry; antiviral small molecules; synthesis; synthetic drugs; antimicrobial
(This special issue belongs to the Section Organic Chemistry)
Research on Food Packaging Materials: Development of Innovative Polymers and Analytical Characterization submission deadline 31 Jan 2026 | 1 articles | Viewed by 672 | Submission Open
Keywords: food packaging materials; chemical contamination; analytical characterization; food preservative properties; innovative polymers
(This special issue belongs to the Section Materials Chemistry)
From Biodiversity to the Modern Use of Medicinal Plants
edited by , Raimundo Gonçalves De Oliveira Junior, and
submission deadline 31 Jan 2026 | Viewed by 619 | Submission Open
Keywords: rational phytotherapy; phytochemical composition; pharmaco-toxicological evaluation; composition/activity relationship; unexplored plant extract; plant biodiversity
(This special issue belongs to the Section Natural Products Chemistry)
Vitrimers and Sustainable Polymers: Pioneering Recycling and Controlled Degradation
edited by and Marc Guerre
submission deadline 31 Jan 2026 | Viewed by 536 | Submission Open
Keywords: vitrimers; polymer recycling; debonding technologies; circular economy; controlled biodegradation; sustainable polymers; environmental impact
(This special issue belongs to the Section Macromolecular Chemistry)
Unlocking the Potential of Agro-Forestry Residues: Biomolecules for Diverse Applications and Multifunctional Uses submission deadline 31 Jan 2026 | 1 articles | Viewed by 428 | Submission Open
Keywords: waste management; recycling; lignin; tannins; cellulose; additives; eco-friendly materials; nanotechnology; sustainability; circular economy
(This special issue belongs to the Section Green Chemistry)
Advances in High-Performance Liquid Chromatography and Novel Applications submission deadline 31 Jan 2026 | Viewed by 369 | Submission Open
Keywords: HPLC; mass spectrometry; fundamentals; stationary phase; artificial intelligence; sampling; sample preparation; hyphenation; hyphenated techniques; green chemistry
(This special issue belongs to the Section Analytical Chemistry)
Research on Plant-Based Polyphenols: Extraction, Purification and Application submission deadline 31 Jan 2026 | Viewed by 364 | Submission Open
Keywords: condensed tannin; biopolymers; extraction; circular economy; deep eutectic solvent; hydrolysable tannin; residue valorization
(This special issue belongs to the Section Natural Products Chemistry)
Recent Progress in Advanced Microwave Absorption Materials: Synthesis, Structure and Application
edited by and Xiaolin Lan
submission deadline 31 Jan 2026 | Viewed by 357 | Submission Open
Keywords: advanced microwave absorption materials; new methods and design strategies; new preparation and characterization concepts; electromagnetic attenuation mechanism; intelligent/smart and multiple functions
(This special issue belongs to the Section Materials Chemistry)
Biological Activity of Essential Oils, 2nd Edition
edited by
submission deadline 31 Jan 2026 | 1 articles | Viewed by 348 | Submission Open
Keywords: essential oil extraction and chemical analysis; biological potential of essential oils; aromatherapy; chemotypes (with/without biological potential variation); biofertilizers; postharvest preservatives
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry and Pediatric Cancer Therapy: Small Molecules and Protein Degraders in Drug Discovery
edited by Gisele Nishiguchi and
submission deadline 31 Jan 2026 | Viewed by 342 | Submission Open
Keywords: drug design; small molecules; protein; computational medicinal chemistry; anticancer; medicinal chemistry; biomolecular interactions
(This special issue belongs to the Section Medicinal Chemistry)
One Health Drugs Against Vector-Borne Parasitic Diseases—a Sustainable Chemical/Biological Approach submission deadline 31 Jan 2026 | Viewed by 324 | Submission Open
Keywords: vector-borne diseases; parasitic diseases; antiparasitic drugs; transmission-blocking drugs; chemotherapy; drug resistance; drug repurposing; pharmacokinetics; natural products; organic production; host-directed therapy; combination therapy; in vitro/in vivo models; drug delivery systems; nanomedicine; pharmacodynamics
(This special issue belongs to the Section Medicinal Chemistry)
Beyond Convention: Novel Sources, Strategies, and Technologies for Researching Fungal Bioactives submission deadline 31 Jan 2026 | Viewed by 309 | Submission Open
Keywords: fungal bioactives; genome mining; metagenomics; synthetic biology; AI-driven discovery; structure elucidation; extremophilic fungi; drug discovery pipelines
Advances of Ionic Liquids in Organic, Polymer and Material Chemistry: Key Trends in Green Chemistry: 2nd Edition
edited by
submission deadline 31 Jan 2026 | Viewed by 294 | Submission Open
Keywords: ionic liquids; green solvents; catalysts; polymer synthesis; advanced materials; electrochemical devices; separation process; nano-materials; biomolecules
(This special issue belongs to the Section Green Chemistry)
Natural Products in Antibacterial Research of Plant and Food Extracts submission deadline 31 Jan 2026 | Viewed by 288 | Submission Open
Keywords: natural compounds; new antibacterials; extraction methods; chemistry; mechanism of action; food preservatives; anti-infectious agents; food-borne bacterial pathogens
(This special issue belongs to the Section Natural Products Chemistry)
Innovative Green and Photochemical Approaches for Sustainable Organic Synthesis
edited by
submission deadline 31 Jan 2026 | Viewed by 279 | Submission Open
Keywords: green chemistry; photochemistry; dual catalysis; photooxidation protocols; sustainable chemistry; material science; sustainable synthesis; green solvents; flow photochemistry; organic synthesis
(This special issue belongs to the Section Organic Chemistry)
Advances in Porphyrinoid-Based Functional Materials submission deadline 31 Jan 2026 | Viewed by 266 | Submission Open
Keywords: porphyrinoids; synthetic approaches; functional materials; medicine; environment; energy; sensing; catalysis
(This special issue belongs to the Section Organic Chemistry)
Advances in Synthesis and Biological Activity of Novel Derivatives Based on Five-Membered Heterocyclic Scaffolds and Their Intermediates, 3rd Edition submission deadline 31 Jan 2026 | Viewed by 258 | Submission Open
Keywords: bioactive heterocycles; heterocyclic scaffolds; bioisosteric heterocyclic skeletons; azoles; pyrazole; oxazole; triazole; oxadiazole; drug design; in silico studies
(This special issue belongs to the Section Organic Chemistry)
Cutting-Edge Developments in Antimicrobial Drug Discovery and Design submission deadline 31 Jan 2026 | Viewed by 243 | Submission Open
Keywords: antimicrobial activity; multidrug resistance; antibiotic resistance; pathogenic strains; phytochemicals; organic synthesis; computational drugs design; molecular modeling
(This special issue belongs to the Section Medicinal Chemistry)
Interactions of Plant-Derived Foods and Medicines with the Gut Microbiome submission deadline 31 Jan 2026 | Viewed by 239 | Submission Open
Keywords: anti-inflammatory effect; antimicrobial activity; fermented foods; gut metabolism; gut microbiota; herbal product; immunomodulatory effect; microbiome therapy; phytochemical; plant-based diet; postbiotics; prebiotic effect; probiotic microorganisms
Natural Bioactives for Health: Therapeutic Promise and Safety Considerations submission deadline 31 Jan 2026 | 1 articles | Viewed by 236 | Submission Open
Keywords: natural bioactive compounds; drug discovery and development; pharmacological activities; toxicological evaluation; analytical and screening methods; human health
Analytical Studies of Bioactive Natural Products in Food submission deadline 31 Jan 2026 | Viewed by 231 | Submission Open
Keywords: natural products; bioactive compound; food chemistry; spectroscopic analysis; analytical chemistry
(This special issue belongs to the Section Food Chemistry)
Novel Research and Applications of Aptasensors Based on Evolutional Selection of Aptamers
edited by , and Liling Hao
submission deadline 31 Jan 2026 | Viewed by 222 | Submission Open
Keywords: aptasensor; food contaminant analysis; environment pollutant analysis; medical analysis; point-of-care testing; nanomaterial functionalization; artificial intelligence-aided analysis; process monitoring
(This special issue belongs to the Section Analytical Chemistry)
Synthesis, Properties and Application of Five- and Six-Membered Heterocycles
edited by Lara Bianchi and
submission deadline 31 Jan 2026 | Viewed by 216 | Submission Open
Keywords: heterocycle synthesis; transition-metal catalysis; multicomponent reactions; structural characterization; computational chemistry; pharmacological activity; functional materials; benzofused heterocycles
(This special issue belongs to the Section Organic Chemistry)
Advanced Nanomaterials for Energy Storage Devices, 2nd Edition
edited by
submission deadline 31 Jan 2026 | Viewed by 215 | Submission Open
Keywords: electrochemical energy storage; carbon nanomaterials; layered transition metal dichalcogenides; porous 1D nanomaterials; 2D transition metal carbides/nitride (MXene) nanomaterials; energy conversion and storage; fuel cells; batteries; flow batteries; supercapacitors; hydrogen production; storage and distribution; utilization of carbon dioxide
(This special issue belongs to the Section Inorganic Chemistry)
Biologically Active Molecules from Microbes and Plants
edited by
submission deadline 31 Jan 2026 | Viewed by 208 | Submission Open
Keywords: isolation; structural characterization; biological profiling; biological activity; anti-inflammatory; anti-bacterial; anti-cancer; secondary metabolite; microbe; plant; natural product; drug discovery; bio-discovery
(This special issue belongs to the Section Natural Products Chemistry)
Aroma and Volatile Compounds from Foods
edited by
submission deadline 31 Jan 2026 | Viewed by 205 | Submission Open
Keywords: aroma compounds; volatile organic compounds (VOCs); food flavor; gas chromatography– mass spectrometry (GC-MS); odor activity value (OAV); food quality; food processing; sensory analysis
(This special issue belongs to the Section Flavours and Fragrances)
Design and Synthesis of Antimicrobial and Antiviral Agents: From Molecular Targets to Therapeutic Strategies
edited by
submission deadline 31 Jan 2026 | Viewed by 192 | Submission Open
Keywords: antimicrobial drug discovery; antiviral agents; structure-based design; resistance mechanisms; medicinal chemistry; target identification; lead optimization; synthetic methodology; mechanism of action; therapeutic strategies
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances of Hydrogel Materials for Biomedical Applications submission deadline 31 Jan 2026 | Viewed by 173 | Submission Open
Keywords: hydrogels; biomedical applications; hydrogel synthesis; tissue engineering; drug delivery systems
(This special issue belongs to the Section Medicinal Chemistry)
Computational Approaches in Drug Discovery and Design, 2nd Edition
edited by
submission deadline 31 Jan 2026 | Viewed by 172 | Submission Open
Keywords: combined and integrated approaches in CADD; QM/MM and quantum chemical computations for protein–ligand binding; scoring function; binding free energy; target identification; molecular docking; molecular dynamics simulation; machine learning or deep learning; data fitting; database; pattern recognition; druglikeness; drug design or drug discovery
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Exclusive Feature Papers in Electrochemistry—2nd Edition
edited by and
submission deadline 31 Jan 2026 | Viewed by 156 | Submission Open
Keywords: electrochemical science; energy conversion; electrocatalysis; electrooxidation and electroreduction; (bio)sensors; corrosion science; environmental applications; new materials; green electrochemistry
(This special issue belongs to the Section Electrochemistry)
Transition Metal Complexes for Small Molecule Bond Activation submission deadline 31 Jan 2026 | Viewed by 143 | Submission Open
Keywords: transition metal complex; bond activation; small molecule; functionalization; oxidative addition; metal– ligand and metal– metal cooperation; second coordination sphere interactions
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in Supramolecular and Surface Photochemistry submission deadline 31 Jan 2026 | Viewed by 139 | Submission Open
Keywords: supramolecular photochemistry; organic photochemistry; photochemical synthesis; medicinal uses of photochemistry; biomolecular photochemistry; photochemical reaction mechanisms; photochemistry in confined spaces
(This special issue belongs to the Section Photochemistry)
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