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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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Ionic Liquids and Molecular Materials: Advances in Functional Interfaces and Applications submission deadline 31 Mar 2027 | 5 articles | Viewed by 6253 | Submission Open
Keywords: ionic fluids; bulk properties; surface and interfacial properties; thin films; vacuum engineering; energy harvesting and storage; functional materials
(This special issue belongs to the Section Physical Chemistry)
Heterocycles: Design, Synthesis and Biological Evaluation, 4th Edition submission deadline 31 Mar 2027 | 3 articles | Viewed by 6029 | Submission Open
Keywords: heterocycles; organic synthesis; drug design; biological activity; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Components From Fungi in the Context of Biomedical Applications
edited by Magdalena Jaszek
submission deadline 31 Mar 2027 | 2 articles | Viewed by 4670 | Submission Open
Keywords: fungal bioactive substances; polysaccharides; phenolic compounds; mushroom extracts; medicinal mushrooms; biomedical applications; functional food
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry Applied to Enhanced Oil Recovery
edited by and Mingwei Gao
submission deadline 31 Mar 2027 | 4 articles | Viewed by 4555 | Submission Open
Keywords: advanced chemical materials for EOR; oil–gas field chemical working fluids; molecular engineering of EOR materials; reservoir chemical compatibility; chemical flooding enhancement mechanisms
(This special issue belongs to the Section Applied Chemistry)
Development of Computational Approaches in Chemical Biology
edited by , Dianyong Tang and Yichang Liu
submission deadline 31 Mar 2027 | 4 articles | Viewed by 4466 | Submission Open
Keywords: computational chemical biology; molecular modeling; molecular dynamics simulations; AI in drug discovery; protein–ligand interactions; protein design; biological networks; multi-omics integration
(This special issue belongs to the Section Computational and Theoretical Chemistry)
The Chemistry of Food Quality Changes During Processing and Storage
edited by
submission deadline 31 Mar 2027 | 5 articles | Viewed by 4305 | Submission Open
Keywords: innovative processing; microbiological quality; mitigation strategies; processing optimization; shelf life extension; physicochemical changes; nutritional value; antioxidant capacity
(This special issue belongs to the Section Food Chemistry)
Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms submission deadline 31 Mar 2027 | 3 articles | Viewed by 3802 | Submission Open
Keywords: bioactive compounds; bioavailability; extraction methods; biological activities; cell signalling; functional applications; nutraceuticals; human metabolism; toxicity; bioactive-gut microbiota relationships
(This special issue belongs to the Section Natural Products Chemistry)
Degradation of Aromatic Compounds in the Environment submission deadline 31 Mar 2027 | 2 articles | Viewed by 3781 | Submission Open
Keywords: aromatic compounds; microorganisms; biodegradation; biotransformation; advanced oxidation processes
(This special issue belongs to the Section Organic Chemistry)
Feature Papers in Food Chemistry—4th Edition
edited by
submission deadline 31 Mar 2027 | 7 articles | Viewed by 3596 | 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)
Physicochemical Interactions and Modifications of Composition, Structure and Properties During Food Processing submission deadline 31 Mar 2027 | 6 articles | Viewed by 3457 | Submission Open
Keywords: phytochemicals; bioactive compounds; functional food; food processing
(This special issue belongs to the Section Food Chemistry)
Phytochemicals as Promising Molecules in Acute and Chronic Neurodegeneration
edited by
submission deadline 31 Mar 2027 | 1 articles | Viewed by 3342 | Submission Open
Keywords: phytochemicals; nutrients; morphology; transmission electron microscopy; autophagy; proteasome; neurodegeneration; central nervous system; peripheral nervous system; sensory organs
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Microplastics and Nanoplastics Analysis, 2nd Edition submission deadline 31 Mar 2027 | 4 articles | Viewed by 3272 | Submission Open
Keywords: microplastics; nanoplastics; monitoring; analytical methods; ecotoxicological assays
(This special issue belongs to the Section Analytical Chemistry)
Design and Preparation of New Metal Catalysts for Functional Organic Compounds Synthesis
edited by
submission deadline 31 Mar 2027 | 2 articles | Viewed by 3135 | Submission Open
Keywords: transition metal complexes; hybrid catalysts; nanocatalysts; single-atom catalysts; sustainable organic synthesis; natural products
(This special issue belongs to the Section Organometallic Chemistry)
Recent Advances in the Organic Synthesis of Bioactive Natural Compounds and Their Analogs submission deadline 31 Mar 2027 | 2 articles | Viewed by 2761 | 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)
Biological Activity of Metal Complexes: Design and Characterization Strategies submission deadline 31 Mar 2027 | 1 articles | Viewed by 2697 | Submission Open
Keywords: metal complexes; biological activity; metallodrugs; anticancer: antibacterial; antiviral; antiparasitic: delivery methods; biophysical characterization; DFT; docking
(This special issue belongs to the Section Inorganic Chemistry)
Rare Earth Luminescent Materials and Complexes: Structure, Properties and Applications
edited by , and Vladimira S. Videva
submission deadline 31 Mar 2027 | 1 articles | Viewed by 2623 | 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 Sustainable and Functional Bio-Based Porous Materials for Environmental Remediation
edited by and Yufei Nan
submission deadline 31 Mar 2027 | 3 articles | Viewed by 2478 | Submission Open
Keywords: bio-based materials; porous structure; adsorption of heavy metals/organics/dyes/microplastics; sustainable processing
(This special issue belongs to the Section Materials Chemistry)
Advances in the Mass Spectrometry of Chemical and Biological Samples, 2nd Edition
edited by
submission deadline 31 Mar 2027 | 3 articles | Viewed by 2224 | 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)
Modern Application of Cycloaddition Reactions: Experimental and Theoretical Research
edited by and Patricia Perez
submission deadline 31 Mar 2027 | 1 articles | Viewed by 2137 | Submission Open
Keywords: cycloaddition reactions; molecular electron density theory; density functional theory; reaction mechanism; organic synthesis; bioactive compounds; biological activity of heterocyclic compounds
(This special issue belongs to the Section Organic Chemistry)
Functional Nanomaterials and Composites: From Design Towards Energy & Environmental Applications submission deadline 31 Mar 2027 | 3 articles | Viewed by 2068 | Submission Open
Keywords: nanomaterials; composites; energy applications; environmental remediation; sustainable technologies
(This special issue belongs to the Section Nanochemistry)
Chemical and Physical Interactions Between Food and Packaging: Safety, Stability, and Quality submission deadline 31 Mar 2027 | 2 articles | Viewed by 2062 | Submission Open
Keywords: packaging; coating; physical properites; chemical properties; food quality; food safety
(This special issue belongs to the Section Food Chemistry)
Extraction and Analysis of Natural Products in Food—4th Edition submission deadline 31 Mar 2027 | 3 articles | Viewed by 1930 | Submission Open
Keywords: natural products; extraction methodologies: green impacts and sustainability; separation and purification techniques; agri-food byproducts; natural bioactive compounds; food ingredients; industrial application
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis, Characterization, and Biological Evaluation of Small Molecules as Anticancer Agents
edited by
submission deadline 31 Mar 2027 | 2 articles | Viewed by 1910 | Submission Open
Keywords: anticancer small molecules; medicinal chemistry; drug design and synthesis; structure–activity relationship; targeted therapy; apoptosis induction; preclinical evaluation
(This special issue belongs to the Section Bioorganic Chemistry)
Recent Advances in Antibacterial Nanomaterials
edited by
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1872 | Submission Open
Keywords: nanoparticles; biochemistry; antibacterial; bacteriostatic; cell membrane
(This special issue belongs to the Section Nanochemistry)
Metal Ions and Metal Complexes in Medicinal Chemistry submission deadline 31 Mar 2027 | 1 articles | Viewed by 1807 | Submission Open
Keywords: metal ions; metal complexes; synthesis; study; spectral analysis; biological activity; ligands
(This special issue belongs to the Section Medicinal Chemistry)
Biomass-Derived Materials: From Molecular Design to Sustainable Applications submission deadline 31 Mar 2027 | 3 articles | Viewed by 1807 | Submission Open
Keywords: biomass-derived materials; renewable feedstocks; molecular design; green synthesis; sustainable materials; biopolymers; biochars and activated carbons; functional composites; circular economy
(This special issue belongs to the Section Green Chemistry)
Bioactive Molecules for Targeted Cancer Therapy
edited by and Robert A. Falconer
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1745 | Submission Open
Keywords: enzymatic inhibitors; fragment-based discovery; chemical biology; covalent ligands; payloads; prodrug; (poly)peptide conjugates; antibody–drug conjugates; computational chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Chemistry, Bioactivity and Authenticity of Sugar-Rich and Fermented Foods and Beverages submission deadline 31 Mar 2027 | 3 articles | Viewed by 1724 | Submission Open
Keywords: sugar-rich foods; fermented beverages; chemical characterization; analytical techniques; bioactive compounds; metabolomics; authenticity; food control
(This special issue belongs to the Section Food Chemistry)
Advances in Phytochemical Analysis of Plant-Derived Bioactive Natural Products
edited by
submission deadline 31 Mar 2027 | 2 articles | Viewed by 1713 | Submission Open
Keywords: phytochemical analysis; plant-derived bioactive compounds; natural products chemistry; polyphenols; metabolite profiling; sustainable plant matrices; circular economy valorization; agro-industrial by-products; nutraceutical applications; structure–activity relationships
(This special issue belongs to the Section Natural Products Chemistry)
Plant Phenolics: Extraction, Profiling, Properties and Applications
edited by
submission deadline 31 Mar 2027 | 3 articles | Viewed by 1582 | Submission Open
Keywords: plant; phenolic; extraction; purification; profiling; property; application; analytical characterization; functional evaluation; metabolomics; chemometric; antioxidant; antimicrobial, anti-inflammatory, bioactivity; food preservation; nutraceutical; pharmaceutical, biomaterial, sustainability; plant material
(This special issue belongs to the Section Natural Products Chemistry)
Carbon Materials for Biomedical and Environmental Applications
edited by
submission deadline 31 Mar 2027 | 3 articles | Viewed by 1543 | Submission Open
Keywords: carbon materials; biomedical applications; environmental applications; carbon based composites; catalysts; synthesis
(This special issue belongs to the Section Materials Chemistry)
Natural Pigments and Colorants in Food: Sources, Stability and Applications
edited by , Jarosław Wyrwisz, Małgorzata Moczkowska-Wyrwisz and Sabina Karp-Paździerska
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1535 | Submission Open
Keywords: natural colorants; anthocyanins; carotenoids; betalains; chlorophylls; encapsulation; stability; food applications; biopolymer interactions
(This special issue belongs to the Section Food Chemistry)
Synthesis, Properties, and Applications of Chiral Molecules
edited by José Luis Olivares-Romero
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1522 | Submission Open
Keywords: asymmetric catalysis; new chiral catalyst; stereoselective synthesis of natural products and analogs; chiral auxiliaries and reagents; computational and mechanistic studies of chiral processes; stereochemical characterization (e.g., ECD, VCD, NMR, XRD); chirality in pharmaceutical development (ADMET, enantioselective binding); enantioselective recognition, sensors, and separation technologies; chiral materials in optoelectronics, polymers, and supramolecular chemistry; green and sustainable strategies for chiral synthesis
(This special issue belongs to the Section Organic Chemistry)
New Sights in Stereoselective Synthesis
edited by , and Francesca Franco
submission deadline 31 Mar 2027 | 2 articles | Viewed by 1503 | Submission Open
Keywords: asymmetric synthesis; organocatalysis; metal-based catalysts; chiral reagents; enzymatic reactions; synthesis in alternative biodegradable solvents; light-driven reactions; biocatalysis; electrochemical organic synthesis; continuous flow reactions
(This special issue belongs to the Section Organic Chemistry)
Development of Functional Hydrogels in Biomedicine
edited by
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1468 | Submission Open
Keywords: hydrogels; wound healing; biomaterials; nanotechnology; regenerative medicine; tissue regeneration
(This special issue belongs to the Section Medicinal Chemistry)
Spectrophotometric Applications in Chemistry
edited by
submission deadline 31 Mar 2027 | 3 articles | Viewed by 1442 | Submission Open
Keywords: spectrophotometry; UV/Vis spectroscopy; analytical chemistry; green analytical chemistry; method validation; trace analysis; speciation analysis; environmental analysis; pharmaceutical analysis; sensor development
(This special issue belongs to the Section Applied Chemistry)
Advances in Intercalation Chemistry submission deadline 31 Mar 2027 | 2 articles | Viewed by 1440 | Submission Open
Keywords: intercalation; layered compound application; synthesis; clay-based materials; layered phosphates; layered double hydroxides; graphite; ion exchange
(This special issue belongs to the Section Materials Chemistry)
Natural Products as Plant Protection Agents submission deadline 31 Mar 2027 | 2 articles | Viewed by 1434 | Submission Open
Keywords: advanced delivery systems; formulation; efficacy; control spectrum; persistence in the environment; field performance; sustainable agriculture; integrated pest management
(This special issue belongs to the Section Natural Products Chemistry)
Heterocyclic Compounds: Design, Synthesis and Pharmacological Activity
edited by and Aleksandar Pashev
submission deadline 31 Mar 2027 | 2 articles | Viewed by 1405 | Submission Open
Keywords: heterocyclic compounds; drug design; multicomponent reactions; green chemistry; pharmacological activity; medicinal chemistry
(This special issue belongs to the Section Organic Chemistry)
Exploring the Antioxidant Properties of Natural Products
edited by Leticia Xochitl Lopez-Martinez and Ramiro Baeza-Jiménez
submission deadline 31 Mar 2027 | 2 articles | Viewed by 1378 | Submission Open
Keywords: carotenoids; phenolic compounds; oxidative stress; health benefits; bioactive and nutritional molecules; essential oils; agricultural byproducts
(This special issue belongs to the Section Natural Products Chemistry)
Molecules Medicinal Chemistry Reviews, 2nd Edition
edited by and
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1370 | Submission Open
Keywords: drug discovery; drug design; computer-aided drug design; synthesis; pharmacophore; targets; structure-activity relationships; therapeutics
(This special issue belongs to the Section Medicinal Chemistry)
Computational Drug Design
edited by Hajime Hirao
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1280 | Submission Open
Keywords: AI-based drug design; molecular docking; molecular dynamics simulations; QM/MM calculations; pharmacophore modeling; cheminformatics; ADMET prediction
(This special issue belongs to the Section Medicinal Chemistry)
Synthesis and Applications of Porous Materials as Catalysts and Adsorbents
edited by and
submission deadline 31 Mar 2027 | 2 articles | Viewed by 1277 | Submission Open
Keywords: porous materials; metal oxides; carbon materials; adsorbents; CO2 conversion; photocatalysis; thermal catalysis
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Supramolecular and Surface Photochemistry submission deadline 31 Mar 2027 | 1 articles | Viewed by 1224 | 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)
Advanced Nanostructured Materials for Electrochemical Energy Storage Devices
edited by and
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1203 | Submission Open
Keywords: electrochemical energy storage; supercapacitors; batteries; flow batteries; 2D transition metal carbides/nitride (MXene) nanomaterials; transition metal compounds; aqueous batteries; advanced nanostructured materials
(This special issue belongs to the Section Materials Chemistry)
The Role of Transition Metal Compounds in Energy Conversion
edited by , and
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1154 | Submission Open
Keywords: carrier density; electrode materials; energy conversion and storage; layered transition metal dichalcogenides; porous materials; MXene; fuel cells; batteries; supercapacitors; hydrogen production; energy storage and distribution; CO2 reduction
(This special issue belongs to the Section Electrochemistry)
Advances in Molecular Targets and Signaling Pathways for Drug Discovery
edited by
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1140 | Submission Open
Keywords: medicinal chemistry; novel chemical scaffolds against molecular targets; new chemical ligands of receptors; chemical compounds in drug delivery
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Analytics for the Discovery and Structural Elucidation of Bioactive Natural Products from Biodiversity submission deadline 31 Mar 2027 | 1 articles | Viewed by 1121 | Submission Open
Keywords: natural products; chemodiversity; biodiversity; mass spectrometry; chromatography
(This special issue belongs to the Section Natural Products Chemistry)
Detection, Toxicity assessment, Removal, and Transformation Pathways of Contaminant Including Recovery of Valuable Substrates
edited by , Gabriela Kamińska and
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1112 | Submission Open
Keywords: emergining micropollutants; environmental monitoring; chromatopgraphy; AOPs; removal techniques; environmental fate; ecotoxoxity; accumulation; toxicity; transformation pathways; recovery of valuable substrates; circular economy; closed-loop treatment systems
(This special issue belongs to the Section Green Chemistry)
Small Molecules in Molecular Imaging, Chemical Biology and Drug Discovery
edited by
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1024 | Submission Open
Keywords: small molecules; molecular design and synthesis; molecular imaging; chemical biology; drug discovery; biomarker visualization; therapeutic targeting; translational medicine; disease mechanisms; personalized diagnostics; biomedical innovation
(This special issue belongs to the Section Medicinal Chemistry)
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