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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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Bioactive Molecules in Foods: From Sources to Functional Applications submission deadline 31 Dec 2025 | 3 articles | Viewed by 4304 | Submission Open
Keywords: food compounds; biological activity; nutrition; health; food products; diet supplementary
(This special issue belongs to the Section Food Chemistry)
The Design, Synthesis, and Biological Activity of New Drug Candidates, 2nd Edition
edited by Carolina S. Marques, and
submission deadline 31 Dec 2025 | 4 articles | Viewed by 4249 | Submission Open
Keywords: bioactive; in silico; in vitro; in vivo; ADMET; synthesis; privilege scaffold; active pharmaceutical ingredients
(This special issue belongs to the Section Medicinal Chemistry)
Innovative Chemical Pathways for CO2 Conversion
edited by and Juqin Zeng
submission deadline 31 Dec 2025 | 4 articles | Viewed by 4186 | Submission Open
Keywords: CO2 conversion; chemical reactions; CO2 utilization; CO2 reduction; green chemistry; sustainable chemistry; CO2 recycling; carbon neutrality; renewable energy; carbon footprint reduction; environmental impact; carbon-based fuels; sustainable processes; climate change mitigation; CO2 emissions; energy transition
(This special issue belongs to the Section Green Chemistry)
Small-Molecule Drug Design and Discovery
edited by Qiuqin He
submission deadline 31 Dec 2025 | 3 articles | Viewed by 4141 | Submission Open
Keywords: small-molecule drug design; structure-based drug design; fragment-based drug discovery; PROTAC technology; artificial intelligence technology; biological evaluation
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 2nd Edition submission deadline 31 Dec 2025 | 4 articles | Viewed by 4098 | Submission Open
Keywords: bioactive compounds; natural plant products; antioxidant activity; extraction methods; polyphenols; flavonoids
(This special issue belongs to the Section Natural Products Chemistry)
Exclusive Contributions by the Editorial Board Members (EBMs) of the Inorganic Chemistry Section of Molecules 2025 submission deadline 31 Dec 2025 | 4 articles | Viewed by 4093 | Submission Open
Keywords: inorganic chemistry; coordination chemistry; main-group chemistry; bioinorganic chemistry; solid-state chemistry; organometallic compounds; inorganic cluster chemistry; metal-based assemblies; inorganic anions; inorganic materials; theoretical inorganic chemistry
(This special issue belongs to the Section Inorganic Chemistry)
Between Solid-State NMR and Nanoscience—a Long Journey with Great Perspectives: A Themed Issue in Honor of Professor Jacek Klinowski
edited by Leszek Stobinski and
submission deadline 31 Dec 2025 | 3 articles | Viewed by 4043 | Submission Open
Keywords: solid-state NMR; NMR; zeolites; ordered carbon nanostructures; MOFs; mathematics in crystallography
(This special issue belongs to the Section Physical Chemistry)
Design, Synthesis, and Catalytic Applications of Metal Complexes
edited by
submission deadline 31 Dec 2025 | 3 articles | Viewed by 4006 | Submission Open
Keywords: metal complex; metal-based material; catalysis: electrocatalysis; photocatalysis; thermocatalysis
(This special issue belongs to the Section Applied Chemistry)
Determination, Adsorption and Degradation Mechanisms of Environmental Pollutants
edited by Alina Catrinel Ion
submission deadline 31 Dec 2025 | 3 articles | Viewed by 3989 | Submission Open
Keywords: environmental pollutants; adsorption mechanisms; degradation pathways; analytical techniques; nanomaterials; heavy metals; organic contaminants
(This special issue belongs to the Section Green Chemistry)
Discovery of Microbial Natural Products
edited by and
submission deadline 31 Dec 2025 | 3 articles | Viewed by 3954 | Submission Open
Keywords: microbial natural products; determination of structure; microorganism; drug candidate; bioactive secondary metabolites; microbial biotechnology
(This special issue belongs to the Section Natural Products Chemistry)
Vibrational Spectroscopy and Imaging for Chemical Application submission deadline 31 Dec 2025 | 4 articles | Viewed by 3887 | Submission Open
Keywords: Raman spectroscopy; infrared spectroscopy; Raman image analysis; infrared image analysis; chemometrics; multiway analysis; multivariate curve resolution; alternating least squares; multivariate image analysis; classification; machine learning
(This special issue belongs to the Section Analytical Chemistry)
Cross-Coupling and Related Reactions: Past and New Reactions for the Future
edited by and Satenik Mkrtchyan
submission deadline 31 Dec 2025 | 1 articles | Viewed by 3837 | Submission Open
Keywords: C-C- cross coupling reactions; C-C bond formation by transition metal catalysis; C-C bond formation by organocatalysis; C-C bond formation by photoredox catalysis; C-C bond formation by enzymatic catalysis; sustainability; green chemistry; new trends in C-C bond formation
(This special issue belongs to the Section Organic Chemistry)
Active Ingredients in Functional Foods and Their Impact on Health, 2nd Edition submission deadline 31 Dec 2025 | 3 articles | Viewed by 3697 | Submission Open
Keywords: functional foods; active ingredients; bioactive compounds; health impact; nutraceuticals; dietary patterns; personalized nutrition
(This special issue belongs to the Section Food Chemistry)
Ionic Liquids and Deep Eutectic Solvents in Catalysis: Current Status and Future Outlook
edited by and Peter A. Goodrich
submission deadline 31 Dec 2025 | 2 articles | Viewed by 3615 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; green chemistry; catalysis; sustainable synthesis; homogeneous catalysis; heterogeneous catalysis; enzymatic catalysis; microwave irradiation; ultrasonic activation
(This special issue belongs to the Section Green Chemistry)
Low-Dimensional Nanomaterials: Chemical Functionalization and Advanced Applications
edited by and
submission deadline 31 Dec 2025 | 3 articles | Viewed by 3482 | Submission Open
Keywords: low-dimensional materials; nanomaterials; surface characterization; chemical functionalization; surface spectroscopy; interface engineering; two-dimensional materials; surface modification; nanotechnology; surface reactivity
(This special issue belongs to the Section Materials Chemistry)
Solar Energy Conversion and Information Interpretation Based on Novel Nanotechnologies
edited by and
submission deadline 31 Dec 2025 | 2 articles | Viewed by 3472 | Submission Open
Keywords: catalytic materials and applications; solar cells; photodetection; materials synthesis and characterizations; materials theory and principles; nanostructures and nanomaterials; optoelectronic materials; photovoltaics photocatalysis materials; plasmonics and applications; sensors and applications
(This special issue belongs to the Section Materials Chemistry)
Plant Volatile Organic Compounds: Extraction, Characterization and Biological Activities submission deadline 31 Dec 2025 | 2 articles | Viewed by 3418 | Submission Open
Keywords: plant volatile organic compounds; biosynthesis and emission; essential oils; biological activities; green extraction; omics technologies; circular bioeconomy
(This special issue belongs to the Section Natural Products Chemistry)
Exploring the Therapeutic Potential of Natural Antioxidants
edited by
submission deadline 31 Dec 2025 | 3 articles | Viewed by 3281 | Submission Open
Keywords: oxidant stress; antioxidants; age; age-related disease; natural plants; polyphenol; fermentation
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis of Nanomaterials and Their Applications in Biomedicine—2nd Edition
edited by
submission deadline 31 Dec 2025 | 1 articles | Viewed by 3154 | Submission Open
Keywords: nanomaterials; biomaterials; synthesis; characterization; diagnosis; treatment; cytotoxicity; biocompatibility
(This special issue belongs to the Section Materials Chemistry)
Insight into Electrochemical and Photocatalysis/Photoelectrochemical Hydrogen Evolution
edited by
submission deadline 31 Dec 2025 | 2 articles | Viewed by 2962 | Submission Open
Keywords: hydrogen evolution reactions (HER); hydrogen production; electrocatalysts (electrocatalysis); photocatalysts (photocatalysis); photoelectrochemical (PEC); energy conversion; (nano)materials
(This special issue belongs to the Section Materials Chemistry)
Innovations in Metal–Organic Frameworks: Their Synthesis, Properties and Multifaceted Applications submission deadline 31 Dec 2025 | 2 articles | Viewed by 2815 | Submission Open
Keywords: MOFs; heterogeneous catalysis; storage; adsorption; photocatalysis; fluorescent sensors; electronic devices
(This special issue belongs to the Section Materials Chemistry)
Anticancer Computational Drug Discovery: New Approaches, New Targets, and New Treatments
edited by
submission deadline 31 Dec 2025 | 1 articles | Viewed by 2776 | Submission Open
Keywords: anticancer; structure-based drug design; de novo drug design; artificial intelligence (AI); big data machine learning and virtual screening
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Natural Products and Their Biological Activities—2nd Edition
edited by , , Roseli Barbosa and Francisco Assis Bezerra Da Cunha
submission deadline 31 Dec 2025 | 3 articles | Viewed by 2773 | Submission Open
Keywords: phytochemical; natural product; phytotherapy; medicinal plants; biological activity; pharmaceutical formulations; biological activity; pharmacological or toxicology effects
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Natural Fiber Composites
edited by
submission deadline 31 Dec 2025 | 1 articles | Viewed by 2766 | Submission Open
Keywords: natural fibers; polymer composites; natural fiber-reinforced polymers; heterogeneous structures; complex interfaces
(This special issue belongs to the Section Macromolecular Chemistry)
BODIPYs: State of the Art and Future Perspectives submission deadline 31 Dec 2025 | 2 articles | Viewed by 2704 | Submission Open
Keywords: BODIPYs; spectroscopy; synthesis; quantum mechanics; tunable laser; bioimaging; photodynamic therapy; optoelectronics
(This special issue belongs to the Section Colorants)
Isolation, Characterization, and Application of Anticancer Agents from Natural Products
edited by and
submission deadline 31 Dec 2025 | 2 articles | Viewed by 2677 | Submission Open
Keywords: medicinal plants; bioactive phytochemicals; cytotoxic activity; oxidative stress; anticancer potential; mechanism of action; cancer cells
(This special issue belongs to the Section Natural Products Chemistry)
Intermolecular Interaction Predictions for Large Molecular Systems
edited by and Wei Li
submission deadline 31 Dec 2025 | 2 articles | Viewed by 2659 | Submission Open
Keywords: intermolecular interactions; low scaling quantum chemistry; machine learning; experimental techniques; computational predictions
(This special issue belongs to the Section Physical Chemistry)
Magnetic Targeted Nanomaterials and Applications in Drug Delivery and Diagnostics submission deadline 31 Dec 2025 | 3 articles | Viewed by 2628 | Submission Open
Keywords: magnetic targeting; theranostics; drug delivery; nanomaterials; magnetic hyperthermia
(This special issue belongs to the Section Nanochemistry)
Recent Advances in Catalysts for Biomass Conversion
edited by and Chunlin Chen
submission deadline 31 Dec 2025 | 1 articles | Viewed by 2589 | Submission Open
Keywords: biomass utilization; biomass platform chemicals; lignocellulose model compounds; catalysis; bio-based materials
Functional Heterocyclic Compounds with Outstanding Biological Activities submission deadline 31 Dec 2025 | 2 articles | Viewed by 2353 | Submission Open
Keywords: pharmaceutical chemistry; bioactive heterocyclic compounds; antitumor extracts; plant extract– synthetic substances associations; biocompatibility; nontoxicity
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Nanomaterials for Biomedical Applications, 2nd Edition
edited by Xueen Jia and Ce Zhang
submission deadline 31 Dec 2025 | 1 articles | Viewed by 2286 | Submission Open
Keywords: 2D nanomaterials; metal– organic frameworks (MOFs); metasurfaces; biosensor; drug delivery
(This special issue belongs to the Section Nanochemistry)
Zeolites and Related Materials
edited by Svetlana Mintova and Eddy Dib
submission deadline 31 Dec 2025 | 1 articles | Viewed by 2153 | Submission Open
Keywords: zeolites; crystal growth; structures; molecular interactions; diffusion; in situ
(This special issue belongs to the Section Materials Chemistry)
Functional Foods Enriched with Natural Bioactive Compounds
edited by
submission deadline 31 Dec 2025 | 2 articles | Viewed by 2114 | Submission Open
Keywords: functional food; bioactive compounds; phytochemicals; fortification; valorization; by-products; polyphenols; glucosinolates; gluten-free; probiotics; prebiotics; health benefits; sensory analysis; bioavailability
(This special issue belongs to the Section Natural Products Chemistry)
Functional Materials for Small Molecule Electrocatalysis
edited by , Linlin Li and Qingxue Lai
submission deadline 31 Dec 2025 | 2 articles | Viewed by 2111 | Submission Open
Keywords: electrocatalysis; nanomaterials; electrochemical conversion of H2O; CO2 and N2
(This special issue belongs to the Section Nanochemistry)
Functional Hybrid Materials via Sol–Gel Processing: Design and Properties
edited by
submission deadline 31 Dec 2025 | 1 articles | Viewed by 2102 | Submission Open
Keywords: sol– gel synthesis; hybrid materials; biomedicine; encapsulation of biomolecules; catalysis; magnetic behavior; structural properties; thermal behavior
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Organochalcogen Chemistry submission deadline 31 Dec 2025 | 1 articles | Viewed by 2091 | Submission Open
Keywords: sulfur; selenium; tellurium; chalcogen bond; materials science; synthetic methodologies; catalysis; heterocycles; biomimetics
(This special issue belongs to the Section Organic Chemistry)
Nanomaterials in Photochemical Devices: Advances and Applications submission deadline 31 Dec 2025 | 2 articles | Viewed by 2021 | Submission Open
Keywords: nanomaterials; photochemistry; photocatalysis; nanoparticles; energy conversion; environmental remediation; biomedical applications; photoacoustic imaging
(This special issue belongs to the Section Photochemistry)
Research on Functional Active Ingredients of Edible Fungi
edited by Tianqiao Yong, and
submission deadline 31 Dec 2025 | 2 articles | Viewed by 1943 | Submission Open
Keywords: fungi; compounds; biological activities; uric acid; metabolism; diabetes; cancer; virus
(This special issue belongs to the Section Food Chemistry)
Development and Application of Environmentally Friendly Surfactants
edited by Christina Vakh
submission deadline 31 Dec 2025 | 1 articles | Viewed by 1937 | Submission Open
Keywords: surfactants; green analysis; synthesis of sustainable surfactants; application of sustainable surfactants
(This special issue belongs to the Section Green Chemistry)
New Horizons in Heterogeneous Catalysts: From Design to Applications
edited by , and Ziang Zhao
submission deadline 31 Dec 2025 | 2 articles | Viewed by 1912 | Submission Open
Keywords: single-atom catalyst; nanocatalyst; heterogeneous catalyst; CO2; ester; alcohol; green chemistry
(This special issue belongs to the Section Green Chemistry)
NUCLEO-OMICS24 submission deadline 31 Dec 2025 | 1 articles | Viewed by 1897 | Submission Open
Keywords: dynamics of biomacromolecule-ligand interactions; photoactivatable polymeric nanoconstructs for unconventional therapies; NMR-based metabolomics for bioactive natural products; supramolecular architectures and multivalent tools in biomedical applications
(This special issue belongs to the Section Chemical Biology)
G-quadruplexes in Chemical Biology and Drug Discovery
edited by , Gennaro Piccialli and Maria Marzano
submission deadline 31 Dec 2025 | 1 articles | Viewed by 1873 | Submission Open
Keywords: DNA; G-quadruplex; telomeres; supramolecular chemistry; oligonucleotides; drug discovery; chemical biology
(This special issue belongs to the Section Medicinal Chemistry)
Ab Initio Multireference Quantum Chemical Investigations of Molecules: Chemical Bonding, Spectroscopy, and Beyond
edited by Isuru R. Ariyarathna
submission deadline 31 Dec 2025 | 2 articles | Viewed by 1866 | Submission Open
Keywords: quantum chemistry; ab initio multireference methods; spectroscopy; chemical bonding; transition metals; lanthanides; actinides
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advances in Electrochemical Nanocomposites submission deadline 31 Dec 2025 | 1 articles | Viewed by 1853 | Submission Open
Keywords: nanomaterials; nanocomposites; electrocatalysis; electrochemical properties
(This special issue belongs to the Section Applied Chemistry)
Design and Application Based on Versatile Nano-Composites: Second Edition
edited by
submission deadline 31 Dec 2025 | 2 articles | Viewed by 1742 | Submission Open
Keywords: nanoparticles; nanosheets; composites; preparation; application
(This special issue belongs to the Section Nanochemistry)
Modern Trends and Solutions in Analytical Chemistry in Poland
edited by
submission deadline 31 Dec 2025 | 2 articles | Viewed by 1718 | Submission Open
Keywords: analytical and physical chemistry; separation sciences; chromatographic methods and related techniques (HPLC; SPE; SFC; GC; CZE; UPLC; GC × GC; and others); sample preparation and extraction techniques (SPE; QuEChERS/d-SPE; SPME; SBSE; HFLPME; DLLME; FUSLE; and others); detection techniques (DAD; FLD; MS; MS/MS; and others); spectrometry; bioanalytics; proteomics; metabolomics; and lipidomics; nanotechnology; environmental sciences; natural product chemistry (isolation; identification and quantification of bioactive compounds; and in vitro and then in vivo investigations on their biological activity); food analysis and food safety; xenobiotics analysis in environmental; biological; and food samples; chemometrics and statistical analysis
(This special issue belongs to the Section Analytical Chemistry)
Molecular Approaches to Drug Design: From Target Identification to Delivery
edited by
submission deadline 31 Dec 2025 | 2 articles | Viewed by 1704 | Submission Open
Keywords: drug design; target identification; drug delivery; protein-based therapeutics; targeted therapy
(This special issue belongs to the Section Medicinal Chemistry)
Biological Evaluation of Plant Extracts
edited by
submission deadline 31 Dec 2025 | 3 articles | Viewed by 1683 | Submission Open
Keywords: medicinal plants; phytochemistry; phytopharmacology; metabolomics; proteomics; cell signalization
(This special issue belongs to the Section Natural Products Chemistry)
Molecular Spectroscopy and Computations of Solvation Phenomena of Bioorganic Molecules: New Insights and Applications submission deadline 31 Dec 2025 | 2 articles | Viewed by 1624 | Submission Open
Keywords: bioorganic molecules; solvation phenomena; spectroscopic methods; quantum chemical methods
(This special issue belongs to the Section Bioorganic Chemistry)
Organometallic Chemistry in Europe
edited by
submission deadline 31 Dec 2025 | 1 articles | Viewed by 1597 | Submission Open
Keywords: organometallic chemistry; complexes; metals; metal–carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy; supramolecular chemistry; self-assembly; metal–organic assemblies; molecular architectures; supramolecular materials; chemosensors
(This special issue belongs to the Section Organometallic Chemistry)
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