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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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Advances in Emerging Photovoltaic: From Materials and Devices to Modules
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2701 | Submission Open
Keywords: design and synthesis of photovoltaic materials; perovskite photovoltaics; organic photovoltaics; quantum dot solar cells; scalability and stability
(This special issue belongs to the Section Materials Chemistry)
Analysis and Biological Evaluation of Bioactive Compounds from Natural Sources, 3rd Edition
edited by and Rosanna Avola
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2525 | Submission Open
Keywords: natural products; natural product chemistry; polyphenols; vegetable extract profiling; herbal medicine; phytochemicals; biological applications of natural products; mechanism of action
(This special issue belongs to the Section Natural Products Chemistry)
Nitrogen-Containing Heterocyclic Compounds in Drug Design: Synthesis, Characterization, and Biological Activity submission deadline 30 Sep 2026 | 4 articles | Viewed by 2454 | Submission Open
Keywords: nitrogen heterocycles; synthesis; structure; biological activity; drug development; drug candidates; in silico research; computer-aided drug design; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Materials and Surface Engineering for Sustainable Functional Coatings submission deadline 30 Sep 2026 | 3 articles | Viewed by 2453 | Submission Open
Keywords: corrosion resistance; self-cleaning; antireflective; conductivity; wear resistance
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Fragment-Based Drug Discovery
edited by and Weijun Xu
submission deadline 30 Sep 2026 | 1 articles | Viewed by 2287 | Submission Open
Keywords: fragment-based screening; fragment-based drug design; structure biology; drug discovery; protein–ligand interactions; structure-based drug design; computation-based drug design; AI-guided drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Synthesis and Application of 1,2,3-Triazole Derivatives
edited by and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 2237 | Submission Open
Keywords: 1,2,3-triazoles; synthesis; modification; transannulation; application
(This special issue belongs to the Section Organic Chemistry)
Polymeric Nano-Based Drug Delivery Systems submission deadline 30 Sep 2026 | 3 articles | Viewed by 2191 | Submission Open
Keywords: nanotechnology; polymers; biopolymers; drug delivery; encapsulation; essential oils; blood-brain barrier
(This special issue belongs to the Section Macromolecular Chemistry)
Bioactive Compounds in Food and Cosmetics Processing
edited by Katarzyna Grzelak-Błaszczyk and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 2189 | Submission Open
Keywords: bioactive compounds; polyphenols; food processing; cosmetics processing; nutricosmetics; structural elucidation; structure–activity relationships
Biocatalytic Platforms Towards Synthesis and Degradation Processes submission deadline 30 Sep 2026 | 2 articles | Viewed by 2074 | Submission Open
Keywords: biotechnology; bioconversions; biodegradations; green chemistry
(This special issue belongs to the Section Bioorganic Chemistry)
Advances in Catalytic Conversion of Biomass-Derived Molecules
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2060 | Submission Open
Keywords: biomass; heterogeneous catalysis; hydrolysis; isomerization; dehydration; fructose; 5-hydroxymethylfurfural; 5-ethoxymethylfurfural
(This special issue belongs to the Section Green Chemistry)
Porphyrin-Based Compounds: Synthesis and Application, 3rd Edition submission deadline 30 Sep 2026 | 1 articles | Viewed by 1967 | Submission Open
Keywords: synthesis of porphyrins and derivatives; functionalization/structural modification of porphyrinoids; structural and photophysical characterization; porphyrinic functional materials; biomedical applications optoelectronic applications; porphyrin–protein interactions
(This special issue belongs to the Section Organic Chemistry)
Synthesis and Characterization of Functional Materials for Electrochemical Energy Storage and Conversion—2nd Edition
edited by Feifei Wang
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1937 | Submission Open
Keywords: energy storage and conversion; electrochemical systems; batteries; hydrogen; supercapacitors; CO2 conversion
New Materials for Gas Capture and Conversion
edited by Jie Xu and Yuandong Yang
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1892 | 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)
Recent Advances in Analytical Methods for Drug Analysis
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 1881 | Submission Open
Keywords: advances in analytical techniques; PAT and miniaturization; green chemistry; chemometrics and AI-based tools; new bioactive compounds, organic and biological drugs; organic and elemental impurities; enantiomers; metabolites and biomedical analysis
(This special issue belongs to the Section Analytical Chemistry)
From Medicinal Plants to Bioactive Molecules in Drug Discovery: Phytochemical Profiling, Pharmacological Activity, and Drug Interactions
edited by and Daniela Gitea
submission deadline 30 Sep 2026 | 2 articles | Viewed by 1866 | Submission Open
Keywords: medicinal plants; natural products; bioactive molecules; phytochemical profiling; pharmacological activity; plant–drug interactions; translational pharmacology
(This special issue belongs to the Section Natural Products Chemistry)
New Approaches in the Extraction of Biomolecules from Plants–Molecular and Application Basics, 2nd Edition submission deadline 30 Sep 2026 | 2 articles | Viewed by 1858 | Submission Open
Keywords: plant secondary metabolites; biologically active compounds; design of experiments; natural deep eutectic solvents; ionic liquids; micro- and nano-solid phase extraction; accelerated solvent extraction; supercritical fluid extraction; single-drop extraction
(This special issue belongs to the Section Natural Products Chemistry)
Research on Food Packaging Materials: Development of Innovative Polymers and Analytical Characterization submission deadline 30 Sep 2026 | 1 articles | Viewed by 1705 | Submission Open
Keywords: food packaging materials; chemical contamination; analytical characterization; food preservative properties; innovative polymers
(This special issue belongs to the Section Materials Chemistry)
Green Chemistry in China: Advancing Sustainable Science for a Better World, 2nd Edition
edited by and Sihui Zhan
submission deadline 30 Sep 2026 | 2 articles | Viewed by 1615 | Submission Open
Keywords: sustainable catalysis; green processes; green energy; green materials; green remediation processes; environmental catalysis; degradation of micropollutants; synthetic biology approaches; enzyme; biocatalysis; normal temperature catalysis; biomimetic catalysis; photocatalysis; solvent-free reactions; process intensification; atomic active site catalysis; biotechnology; carbon neutrality
(This special issue belongs to the Section Green Chemistry)
Recent Advances of Hydrogel Materials for Biomedical Applications submission deadline 30 Sep 2026 | 2 articles | Viewed by 1594 | Submission Open
Keywords: hydrogels; biomedical applications; hydrogel synthesis; tissue engineering; drug delivery systems
(This special issue belongs to the Section Medicinal Chemistry)
Agricultural and Food Residues: Treatment and Valorization of By-Products and Wastes
edited by and Zacharias Ioannou
submission deadline 30 Sep 2026 | 2 articles | Viewed by 1571 | Submission Open
Keywords: agri-food waste management; valorization processes; waste treatment technologies; bioconversion and fermentation; extraction and purification methods; bio-based materials and products; nutrient and resource recovery; process optimization; sustainable food systems
(This special issue belongs to the Section Green Chemistry)
Biodegradable Polymers in Biological Application submission deadline 30 Sep 2026 | 2 articles | Viewed by 1497 | Submission Open
Keywords: natural polymers; synthetic polymers; controlled degradation; compositional and structural modifications; processing
(This special issue belongs to the Section Macromolecular Chemistry)
Synthesis and Properties of Heterocyclic Compounds: Recent Advances—2nd Edition submission deadline 30 Sep 2026 | 1 articles | Viewed by 1465 | Submission Open
Keywords: heterocyclic compounds; synthesis; applications; biological activity
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in Development of Small Molecules to Fight Cancer—3rd Edition submission deadline 30 Sep 2026 | 2 articles | Viewed by 1429 | Submission Open
Keywords: medicinal chemistry; drug discovery; anti-cancer drugs, natural products; synthetic compounds; synthesis, biological evaluation; cancer treatment
(This special issue belongs to the Section Medicinal Chemistry)
Floral/Bee-Collected Pollen: Chemical Characterization, Nutritional Properties, Functionality, Bioactivity, and Pharmaco-Medical Applications submission deadline 30 Sep 2026 | 1 articles | Viewed by 1386 | Submission Open
Keywords: pollen; nutrients; bioactive compounds; analytical techniques; phenolics; carotenoids; phenylamides; application
(This special issue belongs to the Section Natural Products Chemistry)
Theoretical Investigations of Organic Reactions: Mechanisms and Kinetics submission deadline 30 Sep 2026 | 2 articles | Viewed by 1360 | Submission Open
Keywords: organic reaction mechanisms; organic reaction kinetics; organic reaction thermodynamic; quantum mechanics; molecular dynamics; molecular docking
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Molecular Design and Ion Transport Mechanisms in Polymer Electrolytes
edited by Faezeh Makhlooghiazad
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1314 | Submission Open
Keywords: polymer electrolytes; ion transport mechanisms; single-ion conductors; polymerised ionic liquids; zwitterionic additives; mixed-anion electrolytes; solid-state batteries; proton-conducting membranes; ionomers; proton-exchange membrane fuel cells; interfacial stability
(This special issue belongs to the Section Electrochemistry)
High-Entropy Oxides as Functional Chemical Systems: Disorder by Design
edited by and
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1293 | Submission Open
Keywords: high entropy oxides; high entropy materials; catalysis; electrocatalysis; heterogeneous catalysis, photocatalysis; magnetic properties; supercapacitors; functional materials
(This special issue belongs to the Section Materials Chemistry)
Advances in QuEChERS-Based Methodologies for Multiresidue Analysis submission deadline 30 Sep 2026 | 1 articles | Viewed by 1244 | Submission Open
Keywords: QuEChERS methodology; multiresidue analysis; sample preparation; emerging contaminants; LC-MS/MS and GC-MS/MS; method validation and standardization; green chemistry approaches; complex matrices
(This special issue belongs to the Section Analytical Chemistry)
Expanding Natural Product Collections: From Diverse Biological and Food Sources to Innovative Structures submission deadline 30 Sep 2026 | 1 articles | Viewed by 1204 | Submission Open
Keywords: natural product collections; targeted and untargeted metabolomics; synthetic and semi-synthetic derivatives; bioassay-guided isolation; structure elucidation; cheminformatics in natural product research; natural product-inspired drug and nutraceutical discovery; food and medicinal plant chemistry
(This special issue belongs to the Section Natural Products Chemistry)
Carbon Dots Conundrum: Structures, Properties and Application of Quasi-Zero Dimensional Materials
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1189 | Submission Open
Keywords: carbon dots; graphene quantum dots; carbon nitride dots; polymeric carbon dots; fluorescence; biomedical applications
(This special issue belongs to the Section Materials Chemistry)
Advances in the Synthesis of Natural Bioactive Compounds
edited by Honglei Liu
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1146 | Submission Open
Keywords: natural bioactive compounds; synthesis; biosynthesis
(This special issue belongs to the Section Natural Products Chemistry)
Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry, 2nd Edition
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1141 | Submission Open
Keywords: organic chemistry methods; organic synthesis; medicinal chemistry; heterocycles; drug discovery; in silico drug design; biologically active compounds
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Materials for Efficient Adsorption and Separation submission deadline 30 Sep 2026 | 1 articles | Viewed by 1122 | Submission Open
Keywords: adsorption; separation; remediation; MOF; carbon-based nanomaterials; silica and metal silicate nanomaterials; polymer and biopolymer sorbents and membranes; nanocomposite
(This special issue belongs to the Section Materials Chemistry)
Potentially Toxic Elements in Contaminated Water: Green Remediation Strategies submission deadline 30 Sep 2026 | 1 articles | Viewed by 1085 | Submission Open
Keywords: potentially toxic elements; waters; wastewaters; green remediation strategies; pollution; water quality
(This special issue belongs to the Section Green Chemistry)
Bioactives and Functional Ingredients in Foods, 3rd Edition
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 1077 | Submission Open
Keywords: bioactive compounds; isolation; stability; health benefits; formulation of delivery systems; incorporation into foods
(This special issue belongs to the Section Natural Products Chemistry)
Green Organic Synthesis: Innovations for a Sustainable Future
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1057 | Submission Open
Keywords: sustainability; organic synthesis; green chemistry; precise synthesis; chemoselectivity; regioselectivity; enantioselectivity; catalysis
(This special issue belongs to the Section Organic Chemistry)
Theoretical and Computational Studies of Condensed-Matter Systems
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 1029 | Submission Open
Keywords: theoretical condensed-matter physics; computational materials science; quantum matter; quantum theory; spintronics; strongly correlated systems; phase transitions; superconductivity; magnetism; phase transitions
(This special issue belongs to the Section Physical Chemistry)
Synthesis of Organic Ligands and Their Metal Complexes in Medicinal Chemistry—2nd Edition
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 979 | Submission Open
Keywords: medicinal chemistry; biologically active compounds; new synthetic methodologies; theoretical, analytical and physicochemical characterization; drug discovery; pharmacological activity; structure-activity relationships
(This special issue belongs to the Section Medicinal Chemistry)
Metal Complexes in Catalysis and Biological Applications
edited by and Edgar Nagles
submission deadline 30 Sep 2026 | 1 articles | Viewed by 967 | Submission Open
Keywords: metal complexes; synthesis and characterization; catalysis; biological activity; DFT; crystal structure
(This special issue belongs to the Section Inorganic Chemistry)
Food Chemistry in Europe, 2nd Edition submission deadline 30 Sep 2026 | Viewed by 945 | Submission Open
Keywords: food chemistry; food process; food additives; food analysis; food safety; metabolomics; data analytics
(This special issue belongs to the Section Food Chemistry)
Innovative Nanostructures for Energy and Environmental Applications submission deadline 30 Sep 2026 | 2 articles | Viewed by 940 | 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)
Current Progress and Challenges of Aqueous Batteries
edited by and Huibo Wang
submission deadline 30 Sep 2026 | 1 articles | Viewed by 939 | Submission Open
Keywords: aqueous batteries; energy storage and conversion; metal-ions; ammonium-ions; flow batteries; electrocatalysis; fuel cells; lead-acid; cathode modification; anode modification; electrolyte; electrode protection
(This special issue belongs to the Section Electrochemistry)
New Therapeutic Tools Against MDR Tumors: Discovery, Synthesis and Evaluation of Bioactive Compounds: 2nd Edition submission deadline 30 Sep 2026 | 1 articles | Viewed by 916 | Submission Open
Keywords: cancer chemotherapy; multi-drug resistance (MDR); design and synthesis of MDR reversing agents; structure-activity relationship studies; MDR active targeting; hybrids and conjugates; drug repurposing; modulators/inhibitors of MDR transporters
(This special issue belongs to the Section Medicinal Chemistry)
Functional Adsorption Materials for Catalytic Degradation in Pollution Chemistry submission deadline 30 Sep 2026 | 1 articles | Viewed by 852 | Submission Open
Keywords: adsorptive catalysis; pollutant degradation; functional meterials; environmental remediation; hybride adsorbents; water and air purification
(This special issue belongs to the Section Applied Chemistry)
Analytical Strategies for Food Authentication and Traceability
edited by and
submission deadline 30 Sep 2026 | 1 articles | Viewed by 823 | Submission Open
Keywords: food characterization; authentication; frauds detection; analytical strategies
(This special issue belongs to the Section Analytical Chemistry)
Coordination Chemistry of d- and p-Block Metal Pnictides, Chalcogenides, and Halides submission deadline 30 Sep 2026 | 1 articles | Viewed by 807 | Submission Open
Keywords: coordination complexes; transition metals; main group metals; halides; chalcogenides; pnictides; bioinorganic compounds; photonic compounds; crystal structures; bandgap
(This special issue belongs to the Section Inorganic Chemistry)
Advances in Green and Sustainable Methods for Biomass Processing and Characterization submission deadline 30 Sep 2026 | 1 articles | Viewed by 765 | Submission Open
Keywords: biomass valorization; sustainable processing; green solvents; biomass characterization; bio-based materials; value-added products
(This special issue belongs to the Section Green Chemistry)
Molecular Biophysics of Viral Proteins submission deadline 30 Sep 2026 | 1 articles | Viewed by 756 | Submission Open
Keywords: molecular biophysics; viral proteins; protein structure; protein dynamics; protein folding; protein–membrane interactions; host–virus interactions; antiviral drug design; virus assembly
(This special issue belongs to the Section Chemical Biology)
Feature Papers in Macromolecular Chemistry, 2nd Edition submission deadline 30 Sep 2026 | 1 articles | Viewed by 743 | Submission Open
Keywords: synthesis and application of novel polymers; controlled/living polymerization; polymerization mechanisms and kinetics; supramolecular polymers and self-assembly; polymer recycling and degradation
(This special issue belongs to the Section Macromolecular Chemistry)
Research on Crystal Structures of Metal Complexes
edited by
submission deadline 30 Sep 2026 | Viewed by 696 | Submission Open
Keywords: coordination chemistry; metal complexes; organic ligands; crystal structure analysis; structural chemistry
(This special issue belongs to the Section Inorganic Chemistry)
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