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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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Exclusive Feature Papers in Macromolecular Chemistry
edited by
submission deadline 30 Jun 2025 | 22 articles | Viewed by 40890 | Submission Open
(This special issue belongs to the Section Macromolecular Chemistry)
Health Promoting Compounds in Milk and Dairy Products
edited by and
submission deadline 30 Jun 2025 | 8 articles | Viewed by 29997 | Submission Open
Keywords: Milk; Dairy products; Functional compounds; Food quality; Protein and bioactive peptides; minerals; Vitamins; Antioxidant compounds; Promoting health and well-being
(This special issue belongs to the Section Food Chemistry)
Chitosan, Chitosan Derivatives, Polysaccharides and Their Applications—2nd Edition submission deadline 30 Jun 2025 | 21 articles | Viewed by 27709 | Submission Open
Keywords: chitin; chitosan; polysaccharide; polysaccharide-based systems
(This special issue belongs to the Section Macromolecular Chemistry)
Phytochemicals from Diet and Medicinal Plants: Chemical Diversity, Delivery Systems and Bioactivity
edited by
submission deadline 30 Jun 2025 | 6 articles | Viewed by 27640 | Submission Open
Keywords: phytochemicals; chemical structure; chemical modification; synthesis; delivery systems; bioactivities; metabolism
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Density Functional Theory (DFT) Calculation submission deadline 30 Jun 2025 | 10 articles | Viewed by 27097 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic proprieties; kinetics and catalysis; QTAIM
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advances in Alkyne Chemistry
edited by Ruimao Hua
submission deadline 30 Jun 2025 | 6 articles | Viewed by 26042 | Submission Open
Keywords: alkyne annulation; carbocycle synthesis; heterocycle synthesis; atom-economic reaction; synthesis methodology
(This special issue belongs to the Section Organic Chemistry)
Biomanufacturing of Natural Bioactive Compounds
edited by Honglei Liu
submission deadline 30 Jun 2025 | 9 articles | Viewed by 23861 | Submission Open
Keywords: bioactive compounds; natural products; biosynthesis; derivation; cell factory
(This special issue belongs to the Section Natural Products Chemistry)
Anti-Inflammatory Natural Compounds
edited by
submission deadline 30 Jun 2025 | 4 articles | Viewed by 23543 | Submission Open
Keywords: anti-inflammatory; plants; chemistry; molecules; metabolites
(This special issue belongs to the Section Natural Products Chemistry)
Modern Trends of Biocatalysis in Organic Chemistry and Enzyme Engineering–2nd Edition
edited by and
submission deadline 30 Jun 2025 | 8 articles | Viewed by 22111 | Submission Open
Keywords: enzyme engineering; biocatalytic promiscuity; enzyme immobilization; directed evolution; biocatalysis; enzymatic reactions
(This special issue belongs to the Section Bioorganic Chemistry)
Bioactive Compounds from Functional Foods, 2nd Edition submission deadline 30 Jun 2025 | 11 articles | Viewed by 20966 | Submission Open
Keywords: functional foods; biological activities; secondary metabolites; phytonutrients; nutraceuticals; new foods and formulations; bioactive potential; functional characterization; isolation of bioactives
(This special issue belongs to the Section Food Chemistry)
Food Sustainability: Promising By-Products for Valorization—2nd Edition submission deadline 30 Jun 2025 | 8 articles | Viewed by 19422 | Submission Open
Keywords: food sustainability; by-product composition; bioactivities; potential applications; innovation
(This special issue belongs to the Section Food Chemistry)
Advances in Synthesis and Biological Activity of Novel Derivatives Based on Five-Membered Heterocyclic Scaffolds and Their Intermediates—Second Edition submission deadline 30 Jun 2025 | 13 articles | Viewed by 18920 | 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)
Featured Reviews in Applied Chemistry 2.0
edited by
submission deadline 30 Jun 2025 | 7 articles | Viewed by 18617 | Submission Open
(This special issue belongs to the Section Applied Chemistry)
Advances in Plant-Sourced Natural Compounds as Anticancer Agents submission deadline 30 Jun 2025 | 6 articles | Viewed by 18337 | Submission Open
Keywords: medicinal plants; natural compounds; phytochemicals; antioxidant activity; anticancer activity; phytotherapy; drug discovery; drug delivery; pharmaceutical formulation
(This special issue belongs to the Section Natural Products Chemistry)
Carbon-Based Materials for Sustainable Chemistry: 2nd Edition
edited by
submission deadline 30 Jun 2025 | 11 articles | Viewed by 16847 | Submission Open
Keywords: carbon-based materials; carbon nanostructures; adsorption; sustainability
(This special issue belongs to the Section Materials Chemistry)
Advances in Targeted Delivery of Nanomedicines submission deadline 30 Jun 2025 | 6 articles | Viewed by 16479 | Submission Open
Keywords: nanomedicines; drug delivery; target delivery; nanoscience; cancer signalling
(This special issue belongs to the Section Medicinal Chemistry)
Heterocyclic Compounds for Drug Design and Drug Discovery
edited by Susana M. M. Lopes and
submission deadline 30 Jun 2025 | 8 articles | Viewed by 15150 | Submission Open
Keywords: heterocycles; medicinal chemistry; drug design; drug discovery; biological activity; natural compounds; synthetic products
(This special issue belongs to the Section Organic Chemistry)
Metal Nanoparticles for a New Generation of Antibacterial Agents submission deadline 30 Jun 2025 | 5 articles | Viewed by 14885 | Submission Open
Keywords: nanomedicine; green synthesis; composites; nanomaterials; antimicrobials; functionalization; combinatorial therapy
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in Functionalized Nanomaterials: Design, Synthesis, Characterization, and Application
edited by
submission deadline 30 Jun 2025 | 10 articles | Viewed by 14797 | Submission Open
Keywords: functionalized nanomaterials; functionalized strategies; compositions; nanostructures; energy storage; sensing; environmental remediation; catalytic
(This special issue belongs to the Section Nanochemistry)
Deep Learning in Molecular Science and Technology
edited by and
submission deadline 30 Jun 2025 | 6 articles | Viewed by 13568 | Submission Open
Keywords: deep learning; data informatics; physical chemistry; biochemistry; materials chemistry
Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds submission deadline 30 Jun 2025 | 10 articles | Viewed by 13260 | Submission Open
Keywords: bioactive compounds; design; synthesis; biological evaluation; in silico evaluation; in vitro evaluation; in vivo evaluation
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in the Synthesis, Functionalization and Applications of Pyrazole-Type Compounds III submission deadline 30 Jun 2025 | 5 articles | Viewed by 12023 | Submission Open
Keywords: pyrazoles; pyrazolines; synthesis; functionalization; transformation; complexes; applications
(This special issue belongs to the Section Organic Chemistry)
Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition submission deadline 30 Jun 2025 | 11 articles | Viewed by 11638 | Submission Open
Keywords: organic synthesis of bioactive compounds; structural analysis; biological activity of organic molecules; pharmacokinetic analysis of potential drug; lipophilicity; active pharmaceutical ingredients
(This special issue belongs to the Section Medicinal Chemistry)
Drug Delivery Systems Based on Polysaccharides: Second Edition submission deadline 30 Jun 2025 | 4 articles | Viewed by 11179 | Submission Open
Keywords: polysaccharides; polysaccharide derivatives; hydrogels; micro- and nanoparticles (spheres and capsules); hybrid nanoparticles; functionalized nanoparticles for drug targeting; micelles based on amphiphilic polysaccharides; drug delivery
(This special issue belongs to the Section Macromolecular Chemistry)
Synthesis, Structural Analysis, and Applications of N, O-Donor Ligands and Their Coordination Polymers submission deadline 30 Jun 2025 | 8 articles | Viewed by 11054 | Submission Open
Keywords: N; O-donor ligands; coordination chemistry; structural chemistry; coordination polymers; DFT calculations
(This special issue belongs to the Section Applied Chemistry)
Computational Insights into Protein Engineering and Molecular Design
edited by Jianpeng Ma and Gang Xu
submission deadline 30 Jun 2025 | 6 articles | Viewed by 10892 | Submission Open
Keywords: protein engineering; protein design; protein structure prediction; computational molecular docking; drug design; optimizing small molecules; molecular dynamic simulation
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Cyclodextrin Chemistry and Toxicology III
edited by , , and Gianluca D’Abrosca
submission deadline 30 Jun 2025 | 5 articles | Viewed by 10884 | Submission Open
Keywords: inclusion complexes; cyclodextrins derivates; cyclodextrins biological activities; cyclodextrins pharmacology and pharmacokinetic; cyclodextrins industrial applications; nano-materials and nano-structured coatings containing cyclodextrins; cyclodextrins environmental remediation; toxicity of cyclodextrin inclusion complexes
(This special issue belongs to the Section Applied Chemistry)
Chemical and Biological Research on Bioactive Natural Products
edited by
submission deadline 30 Jun 2025 | 6 articles | Viewed by 10590 | Submission Open
Keywords: natural products; medicinal plants; drug discovery; bioactive constituent; biological activity; healthy food; drug and herbal medicine; mechanism of action
(This special issue belongs to the Section Natural Products Chemistry)
Inorganic Chemistry in Asia
edited by
submission deadline 30 Jun 2025 | 18 articles | Viewed by 10369 | Submission Open
Keywords: inorganic chemistry; coordination chemistry; organometallic chemistry; solid-stage chemistry; bioinorganic chemistry; nuclear- and radiochemistry; theoretical calculation
(This special issue belongs to the Section Inorganic Chemistry)
Preparation, Characterization and Application of Biochemical Antimicrobial Materials and Compounds
edited by
submission deadline 30 Jun 2025 | 7 articles | Viewed by 10159 | Submission Open
Keywords: biochemical materials; antimicrobial properties; synthesis and preparation; characterization techniques; nanostructured materials; biomaterials
(This special issue belongs to the Section Materials Chemistry)
Feature Papers in Food Chemistry—3rd Edition submission deadline 30 Jun 2025 | 9 articles | Viewed by 9609 | Submission Open
Keywords: food chemistry; functional food; ingredients; bioactivity; antioxidants; food safety and health; food processing
(This special issue belongs to the Section Food Chemistry)
Advances in Green Analytical Chemistry
edited by
submission deadline 30 Jun 2025 | 5 articles | Viewed by 9526 | Submission Open
Keywords: subcritical water; supercritical fluid; extraction; chromatography; organic solvent free; ethanol as eluent
(This special issue belongs to the Section Analytical Chemistry)
Porous and Nanoporous Materials in Heterogeneous Catalysis
edited by Angela Martins
submission deadline 30 Jun 2025 | 6 articles | Viewed by 9523 | Submission Open
Keywords: porous and nanoporous materials; heterogeneous catalysts; hierarchical materials; bifunctional catalysts; catalyst supports; zeolites; zeotypes; carbon materials; MOFs; mesoporous silicas
(This special issue belongs to the Section Materials Chemistry)
Materials in the Application of Adsorption, Degradation, Catalysis and Water Treatment submission deadline 30 Jun 2025 | 8 articles | Viewed by 9352 | Submission Open
Keywords: biomaterial; antimicrobial; adsorbent; catalyst; natural polymers/biopolymers; food packaging; conventional technologies for water treatment; advanced technologies for water treatment
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Computer-Aided Drug Design and Drug Discovery
edited by Jinping Lei and
submission deadline 30 Jun 2025 | 6 articles | Viewed by 8874 | Submission Open
Keywords: computer-aided drug design; structure-based drug design; ligand-based drug design; fragment-based drug design; pharmacophore; QSAR; molecular modelling; artificial intelligence
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Multifunctional Nanomaterials for Bioapplications, 2nd Edition
edited by
submission deadline 30 Jun 2025 | 6 articles | Viewed by 8549 | Submission Open
Keywords: composite nano-materials; multifunctional nano-materials; imaging; biosensor; drug loading; antitumor; antibacterial; regeneration; PDT; PTT
(This special issue belongs to the Section Medicinal Chemistry)
Food Chemistry and Bioactive Compounds in Relation to Health, 2nd Edition submission deadline 30 Jun 2025 | 5 articles | Viewed by 8342 | Submission Open
Keywords: biologically active compounds; functional food ingredients; metabolic pathways; health benefits; foodborne pathogens; probiotics; chromatographic analysis; enzymes applied in food industry
(This special issue belongs to the Section Food Chemistry)
Functional Nanomaterials for Biosensors and Biomedicine Application
edited by and Xiaoqiang Liu
submission deadline 30 Jun 2025 | 5 articles | Viewed by 8165 | Submission Open
Keywords: functional nanomaterials; biosensors; biomedicine; drug delivery; biotherapy
(This special issue belongs to the Section Applied Chemistry)
Exploring Bioactive Polyphenolic Compounds in Food and Natural Real-World Samples II submission deadline 30 Jun 2025 | 5 articles | Viewed by 8163 | Submission Open
Keywords: polyphenols; foods; natural products; comprehensive two-dimensional liquid chromatography
(This special issue belongs to the Section Natural Products Chemistry)
Antibacterial Agents from Natural Source, 2nd Edition submission deadline 30 Jun 2025 | 4 articles | Viewed by 7587 | Submission Open
Keywords: natural products; antibacterial activity; anti-virulence; bioactive molecules; mechanisms and applications; biological activity; drug development; antibacterial peptides
(This special issue belongs to the Section Natural Products Chemistry)
Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis submission deadline 30 Jun 2025 | 3 articles | Viewed by 7057 | Submission Open
Keywords: pharmaceutical analysis; chromatography; HPLC; TLC; GC; food quality control; bioactive compounds; spectrometry; QSAR; QSPR
(This special issue belongs to the Section Analytical Chemistry)
Green Catalysis Technology for Sustainable Energy Conversion submission deadline 30 Jun 2025 | 7 articles | Viewed by 6863 | Submission Open
Keywords: catalysis; sustainable energy; energy crisis; environmental pollution
(This special issue belongs to the Section Green Chemistry)
Anti-cancer Agents from Natural Products submission deadline 30 Jun 2025 | 2 articles | Viewed by 6598 | Submission Open
Keywords: anti-cancer; natural products; structure modification; molecular mechanism; immunotherapy; drug delivery system
(This special issue belongs to the Section Natural Products Chemistry)
Development of Analytical Methods in Food, Biological and Environmental Samples Determination: 3rd Edition submission deadline 30 Jun 2025 | 4 articles | Viewed by 6291 | Submission Open
Keywords: determination of various compounds; electromigration; chromatographic; spectral methods; various matrices
(This special issue belongs to the Section Analytical Chemistry)
Food Chemistry in Asia—2nd Edition submission deadline 30 Jun 2025 | 3 articles | Viewed by 6273 | Submission Open
Keywords: functional foods; food quality and safety; food analysis; food processing; flavor chemistry
(This special issue belongs to the Section Food Chemistry)
Organosulfur and Organoselenium Chemistry II
edited by Ming Wang
submission deadline 30 Jun 2025 | 3 articles | Viewed by 6208 | Submission Open
Keywords: organosulfur; organoselenium; synthesis; transformation; application
(This special issue belongs to the Section Organic Chemistry)
Clusters—between Atoms and Nanoparticles submission deadline 30 Jun 2025 | 3 articles | Viewed by 6152 | Submission Open
Keywords: metallic clusters; kinetic; mechanism of cluster formation; properties; applications
(This special issue belongs to the Section Nanochemistry)
Advances in the Mass Spectrometry of Chemical and Biological Samples
edited by
submission deadline 30 Jun 2025 | 4 articles | Viewed by 6142 | Submission Open
Keywords: sample preparation; extraction; and ionization techniques; targeted and untargeted MS-based methods; high-resolution mass spectrometry (HRMS); MS-based omics; MS imaging; MS-based biomarker discovery and clinical diagnosis; MS-based drug development and toxicity monitoring; MS-based analysis of microbiome; MS in food chemistry and control; MS in forensic science; MS in cosmetic science; MS in environmental science; miniature MS systems; MS applications in nanomaterials development; MS applications in synthetic chemistry
(This special issue belongs to the Section Analytical Chemistry)
Advanced Nano-Based Chemosensors and Biosensors for Detective Application—2nd Edition
edited by and
submission deadline 30 Jun 2025 | 3 articles | Viewed by 5729 | Submission Open
Keywords: nanomaterials; electrochemical sensor; fluorescent sensor; colorimetric analysis; surface plasmon resonance
(This special issue belongs to the Section Analytical Chemistry)
Synthesis, Characterization, and Application of Highly Energetic Materials
edited by
submission deadline 30 Jun 2025 | 5 articles | Viewed by 5501 | Submission Open
Keywords: energetic materials; potential application; energetic materials science and technology; heat release capacity; ignition and combustion behavior
(This special issue belongs to the Section Applied Chemistry)
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