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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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Electrochemical CO2 Reduction: Recent Progress and Prospects
edited by Siraj Sultan and Guangjin Wang
submission deadline 30 Nov 2026 | Viewed by 261 | Submission Open
Keywords: electrochemical CO2 reduction; carbon capture and utilization; electrocatalysts; electrolyzers; CO2 conversion efficiency
(This special issue belongs to the Section Electrochemistry)
Biological NMR Spectroscopy: A Themed Issue in Honor of the Many Contributions of Prof. Dr. Robert Powers
edited by and Leo L. Cheng
submission deadline 30 Nov 2026 | Viewed by 261 | Submission Open
Keywords: biological NMR spectroscopy; protein structure–function; protein dynamics; rational drug design; NMR metabolomics; bioinformatics; computational modeling; best practices in metabolomics research
(This special issue belongs to the Section Analytical Chemistry)
Food Chemistry in China
edited by
submission deadline 30 Nov 2026 | Viewed by 250 | Submission Open
Keywords: food chemistry; bioactive compounds; functional foods; food safety; flavor chemistry; food colloids; extraction technologies
(This special issue belongs to the Section Food Chemistry)
Green Pharmaceutical Formulation: Recent Advances in Deep Eutectic Solvents submission deadline 30 Nov 2026 | Viewed by 248 | Submission Open
Keywords: deep eutectic solvents; drug delivery; controlled release; drug permeability; pharmaceutical formulation
(This special issue belongs to the Section Green Chemistry)
Basic and Functional Properties of Biopolymer-Based Systems submission deadline 30 Nov 2026 | Viewed by 241 | Submission Open
Keywords: edible biopolymers; cosmetics; biopolymer films and coatings; gels; emulsions; biopolymer interactions; functional properties; basic characteristics
(This special issue belongs to the Section Macromolecular Chemistry)
Insights into Chemical Looping Technology
edited by Liyan Sun and
submission deadline 30 Nov 2026 | Viewed by 236 | Submission Open
Keywords: chemical looping; redox chemistry; oxygen carriers; hydrogen production; CO2 capture; reaction mechanisms
(This special issue belongs to the Section Green Chemistry)
Next-Generation Proteomics: Methods, Technologies, and Translational Opportunities
edited by
submission deadline 30 Nov 2026 | Viewed by 223 | Submission Open
Keywords: proteomics; mass spectrometry; protein identification; quantitative proteomics; bioinformatics; analytical techniques; single-cell proteomics; metaproteomics
(This special issue belongs to the Section Chemical Biology)
DNA Nanotechnology: From Molecular Assembly to Functional Systems
edited by Masayuki Endo and
submission deadline 30 Nov 2026 | Viewed by 218 | Submission Open
Keywords: DNA nanotechnology; DNA origami; DNA computing; self-assembly; supramolecular chemistry; molecular robotics
(This special issue belongs to the Section Nanochemistry)
Supramolecular Gels: Structure-Property Correlation and Their Applications in Sensors and Environmental Remediation submission deadline 30 Nov 2026 | Viewed by 213 | Submission Open
Keywords: design; structure–property correlation; dye removal; water remediation; sensors
(This special issue belongs to the Section Materials Chemistry)
Supercapacitors and Hybrid Energy Storage Systems
edited by Jinghao Huo and
submission deadline 30 Nov 2026 | Viewed by 210 | Submission Open
Keywords: supercapacitors; hybrid energy storage systems; electrode materials; electrolytes; energy storage mechanism; electrochemical energy storage
(This special issue belongs to the Section Electrochemistry)
Targeted Therapy for Cancer: Recent Advances in Inhibitors and Degraders
edited by
submission deadline 30 Nov 2026 | Viewed by 210 | Submission Open
Keywords: targeted cancer therapy; drug discovery; drug delivery; small-molecule inhibitors; protein targeting degrader; targeted protein degradation technology; drug resistance; structure-based drug design; precision oncology; combination therapy
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Compounds from Plants: From Discovery to Biomedical Application
edited by
submission deadline 30 Nov 2026 | Viewed by 202 | Submission Open
Keywords: plant bioactive extracts; plant by-products; bioactive compounds; phytochemicals; extraction; biomedical applications
(This special issue belongs to the Section Natural Products Chemistry)
Wastewater Treatment: Functional Materials and Advanced Technology, 3rd Edition
edited by and
submission deadline 30 Nov 2026 | Viewed by 201 | Submission Open
Keywords: wastewater treatment; emerging contaminants; functional materials; contaminant probing; adsorption AOPs; catalysis; membrane separation
(This special issue belongs to the Section Applied Chemistry)
Development and Application of Agricultural Biostimulants
edited by
submission deadline 30 Nov 2026 | Viewed by 200 | Submission Open
Keywords: agricultural biostimulants; bioactive compounds; design and synthesis; structure–activity relationships; chemical characterization; metabolite profiling; natural compounds; green chemistry
Functional Foods: Chemistry, Processing, Bioavailability in Health Promotion
edited by Wiktor Berski and Marek Kruczek
submission deadline 30 Nov 2026 | Viewed by 198 | Submission Open
Keywords: functional foods; bioactive compounds; food matrix; food processing; bioavailability and metabolism; gut microbiome interactions; oxidative stress
(This special issue belongs to the Section Food Chemistry)
Modern Perspectives on Non-Covalent Interactions in Molecular Systems
edited by
submission deadline 30 Nov 2026 | Viewed by 193 | Submission Open
Keywords: datasets of non-covalent interactions; high-level electron correlation calculations; density functional theory; machine learning techniques; molecular self-assembly; van der Waals complexes; REMPI and hole burning spectroscopy; electronic excited and ionic states; surface adsorption, diffusion, and reaction; vibration rotation tunneling spectroscopy; ZEKE spectroscopy
(This special issue belongs to the Section Physical Chemistry)
Nanostructured Graphene-Based Composites for Advanced Electrochemical Energy Storage Systems
edited by
submission deadline 30 Nov 2026 | Viewed by 191 | Submission Open
Keywords: supercapacitor; graphene-based materials; Na-ion batteries, composites; transition metal compounds; aqueous batteries; hybrid capacitors
(This special issue belongs to the Section Nanochemistry)
Advanced Self-Healing Polymers
edited by and
submission deadline 30 Nov 2026 | Viewed by 190 | Submission Open
Keywords: self-healing polymers; dynamic covalent chemistry; supramolecular interactions; vitrimers; healing kinetics; multi-stimuli responsiveness; structure–property–healing relationship
(This special issue belongs to the Section Materials Chemistry)
Gas-Phase Molecular Spectroscopy
edited by
submission deadline 30 Nov 2026 | Viewed by 186 | Submission Open
Keywords: high-resolution molecular spectra; high-resolution experimental techniques; theory of molecular spectra; theory of molecular structure; effective Hamiltonians; quantum chemistry calculations; atmospheric applications; astrophysical applications
(This special issue belongs to the Section Cross-Field Chemistry)
Green Analytical Chemistry: Advanced Separation and Analysis Techniques
edited by and Liliana Patricia Fernández
submission deadline 30 Nov 2026 | Viewed by 180 | Submission Open
Keywords: green chemistry; separation techniques; sensors; emerging contaminants; molecular spectroscopies; biological and environmental samples; atomic spectroscopies
(This special issue belongs to the Section Analytical Chemistry)
Deep Learning for Bioinformatics Application
edited by
submission deadline 30 Nov 2026 | Viewed by 179 | Submission Open
Keywords: deep learning; artificial neural networks; graph neural networks; representation learning; generative models; structural bioinformatics; molecular computing; protein structure prediction; drug discovery
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Exploring Ligand-DNA Interactions: Spectroscopic and Crystallographic Insights
edited by
submission deadline 30 Nov 2026 | Viewed by 177 | Submission Open
Keywords: structure–activity relationship; drug design; anticancer agents; fluorescence; circular dichroism; NMR; noncanonical DNA; X-ray crystallography
(This special issue belongs to the Section Chemical Biology)
Advances in the Research of Perovskite Solar Cells
edited by Teng Zhang and
submission deadline 30 Nov 2026 | Viewed by 175 | Submission Open
Keywords: perovskite solar cells; crystallization regulation; nucleation kinetics; defect passivation; scalable fabrication; crystallization mechanism
(This special issue belongs to the Section Materials Chemistry)
Chemical Design and Functional Properties of Ferroelectric and Multiferroic Materials submission deadline 30 Nov 2026 | Viewed by 173 | Submission Open
Keywords: ferroelectric materials; chemical design; polarization switching; defect engineering; thin films; heterostructures; energy storage; functional oxides
(This special issue belongs to the Section Materials Chemistry)
Real-World Challenges for Perovskite Materials and Corresponding Solar Cells
edited by
submission deadline 30 Nov 2026 | Viewed by 171 | Submission Open
Keywords: perovskite structures; photovoltaics; photodetection; photoluminescence; nonlinear optics; stability
(This special issue belongs to the Section Materials Chemistry)
Physicochemical and Thermodynamic Aspects of Advanced Materials
edited by
submission deadline 30 Nov 2026 | Viewed by 167 | Submission Open
Keywords: nanomaterials; surface functionalization; thermodynamic properties; drug delivery; stimuli-responsive systems; biomolecular interactions; biointerface interactions
(This special issue belongs to the Section Physical Chemistry)
Functional Materials for Gas Separation and Water Treatment
edited by
submission deadline 30 Nov 2026 | Viewed by 155 | Submission Open
Keywords: adsorption materials and processes; catalytic degradation and conversion; membrane separation; advanced porous frameworks (MOFs, COFs, HOFs, zeolites); materials synthesis and functionalization; pore architecture and molecular design; artificial intelligence for material discovery
(This special issue belongs to the Section Applied Chemistry)
Coumarin-Based Compounds as Multifunctional Anticancer Agents
edited by
submission deadline 30 Nov 2026 | Viewed by 89 | Submission Open
Keywords: coumarin; anticancer agents; apoptosis; multitargeting; natural products; drug discovery; in vivo models; structure–activity relationship
(This special issue belongs to the Section Medicinal Chemistry)
Terpenes, Steroids and Their Derivatives, 3rd Edition
edited by
submission deadline 1 Dec 2026 | Viewed by 473 | Submission Open
Keywords: terpene and steroid chemistry, biochemistry, repurposing, and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal, as well as cosmetic, utilization; fluorescent labelling; bio-imaging
Next-Generation Methods for Pesticide Residue Detection
edited by and
submission deadline 1 Dec 2026 | Viewed by 311 | Submission Open
Keywords: pesticide residue analysis; advanced detection techniques; food and environmental safety; sample pretreatment; microextraction techniques; green analytical chemistry
(This special issue belongs to the Section Analytical Chemistry)
Design and Application of Luminescent Compounds submission deadline 10 Dec 2026 | Viewed by 307 | Submission Open
Keywords: luminescent compounds; molecular design; photophysical properties; structure–property relationships; coordination complexes; functional materials; optical application
(This special issue belongs to the Section Photochemistry)
Design, Synthesis, and Theoretical Studies of Enzyme Inhibitors submission deadline 14 Dec 2026 | 2 articles | Viewed by 8968 | Submission Open
Keywords: enzyme inhibitors; molecular docking; drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Components in Plants: Extraction, Characterization and Antioxidant Activity
edited by
submission deadline 15 Dec 2026 | 1 articles | Viewed by 2498 | Submission Open
Keywords: bioactive compounds; plant extracts; extraction of bioactives; polyphenols; chemical characterization; antioxidant activity; green chemistry
(This special issue belongs to the Section Natural Products Chemistry)
Characterization, Quality, and Authenticity of Olive Products: A Themed Issue in Honor of Professor Emerita Maria Z. Tsimidou submission deadline 15 Dec 2026 | 3 articles | Viewed by 1581 | Submission Open
Keywords: olive oil; table olives; olive by-products; bioactive compounds; authenticity and quality markers; molecular and metabolomics characterization; food contaminants (MOHs and PAHs); analytical methods; antioxidant activity; food fraud; climate change effects; valorization
(This special issue belongs to the Section Food Chemistry)
NMR Spectroscopy in Medical Diagnosis and Precision Medicine: Current Trends and Future Directions submission deadline 15 Dec 2026 | Viewed by 760 | Submission Open
Keywords: NMR spectroscopy; metabolomics; lipidomics; biomarkers; medical diagnosis; precision medicine
(This special issue belongs to the Section Applied Chemistry)
Featured Review Papers in Green Chemistry
edited by
submission deadline 15 Dec 2026 | 1 articles | Viewed by 729 | Submission Open
Keywords: green catalysts; green extraction and processing; chemistry based on natural products; bio-based solvents with sub- and super-critical fluids; microwave and ultrasound; organic reaction in green solvents; bioconversion of biomass and sustainable biomaterials; creating fine chemicals and polymers from renewable resources; green nanotechnology; green analytical chemistry; green degradation process
(This special issue belongs to the Section Green Chemistry)
Bioactive Compounds and Biological Activity of Plants from the Cerrado and Amazon
edited by Paula Becker Pertuzatti, and Julia Teixeira De Paula
submission deadline 15 Dec 2026 | Viewed by 436 | Submission Open
Keywords: Cerrado plants; Amazon plants; natural products; sustainable biodiversity; health benefits; extraction and characterization
(This special issue belongs to the Section Natural Products Chemistry)
Biologically Active Nitrogen-Containing Heterocyclic Compounds
edited by and Sara Janowska
submission deadline 15 Dec 2026 | Viewed by 403 | Submission Open
Keywords: nitrogen-containing heterocyclic compounds; biological activity; drug design; molecular docking; synthesis; structure–activity relationship (SAR); medicinal chemistry; bioactive molecule
(This special issue belongs to the Section Medicinal Chemistry)
Perovskite-Based Mixed Oxide Catalysts for Environmental and Industrial Applications submission deadline 15 Dec 2026 | 2 articles | Viewed by 302 | Submission Open
Keywords: perovskite-type materials; heterogeneous catalysis; environmental remediation; energy conversion and storage
(This special issue belongs to the Section Materials Chemistry)
Oxidative Stress and Cancer Therapy: Molecular Mechanisms, Drug Delivery, and Therapeutic Response
edited by
submission deadline 16 Dec 2026 | 1 articles | Viewed by 1549 | Submission Open
Keywords: oxidative stress; reactive oxygen species; ROS; cancer therapy; anticancer agents; lipid peroxidation; ferroptosis; chemoresistance; drug resistance; antioxidant defense; redox signaling; redox homeostasis; drug delivery; nanomedicine; targeted delivery; combination therapy; immunogenic cell death; redox active compounds; natural products; therapeutic response
(This special issue belongs to the Section Chemical Biology)
Bioactive Natural Products: The Potential Sources of New Drugs submission deadline 20 Dec 2026 | 3 articles | Viewed by 5331 | Submission Open
Keywords: bioactive natural compounds; chemical characterization and optimization; bioactive natural products’ safety; cytotoxicity; bioactive natural products’ mechanisms of action; biological activities in vitro and in vivo; chronic diseases; bioactive natural product in non-communicable diseases-chronic inflammation/chronic stress/drug discovery/anticancer
(This special issue belongs to the Section Natural Products Chemistry)
Characterization of Organic Ligands: Correlations Between Results by Electrochemistry and Other Methods
edited by Eleonora-Mihaela Ungureanu
submission deadline 20 Dec 2026 | 2 articles | Viewed by 1809 | Submission Open
Keywords: connections; electrochemical experiments; characterization of organic ligands; DFT calculations of ligand properties; optical methods; electrochemical methods; surface characterization methods (SEM, AFM, Raman, etc.); analytical methods
(This special issue belongs to the Section Applied Chemistry)
AI in Materials Design and Discovery
edited by Guanjie Wang
submission deadline 20 Dec 2026 | 1 articles | Viewed by 1325 | Submission Open
Keywords: materials informatics; materials large language model and agent; explainable machine learning; computational materials science; high-throughput screening; molecules inverse design; structure–property relationships; data-driven discovery
(This special issue belongs to the Section Materials Chemistry)
Elemental Analysis and Determination for Food and Environmental Samples
edited by Kelly das Graças Fernandes Dantas and
submission deadline 20 Dec 2026 | 1 articles | Viewed by 1206 | Submission Open
Keywords: spectroanalytical techniques; mineral composition; sample preparation; essential elements; toxic elements; food safety; nutritional analysis; environmental monitoring
(This special issue belongs to the Section Analytical Chemistry)
Rare Earth Materials: From Design to Applications
edited by Meng Ju
submission deadline 20 Dec 2026 | 1 articles | Viewed by 744 | Submission Open
Keywords: rare earth; crystal structure; spectral characteristic; luminescence; energy conversion; electronic properties; optical communications
(This special issue belongs to the Section Applied Chemistry)
Terpenoids: Chemistry, Structural Diversity, and Biological Activities
edited by and Valentina Parisi
submission deadline 20 Dec 2026 | Viewed by 238 | Submission Open
Keywords: terpenoids; chemical diversity; specialised metabolites; drug discovery; plant-derived compounds; biological activity; biotechnology; metabolomics
(This special issue belongs to the Section Natural Products Chemistry)
Functional Supramolecular Gels: Design, Dynamics, and Applications submission deadline 20 Dec 2026 | Viewed by 210 | Submission Open
Keywords: hydrogels; organogels; ionogels; hybrid supramolecular gels; gel properties; gel applications
(This special issue belongs to the Section Materials Chemistry)
Nanomaterials in Photochemical Devices: Advances and Applications submission deadline 30 Dec 2026 | 3 articles | Viewed by 5285 | Submission Open
Keywords: nanomaterials; photochemistry; photocatalysis; nanoparticles; energy conversion; environmental remediation; biomedical applications; photoacoustic imaging
(This special issue belongs to the Section Photochemistry)
Advancement in Natural and Novel Antimicrobial Agents submission deadline 30 Dec 2026 | 3 articles | Viewed by 2234 | Submission Open
Keywords: bacterial priority list; antimicrobial resistance; natural compounds; novel antibacterial agents; synthetic antimicrobial compounds; extraction; synthesis; antimicrobial activity
(This special issue belongs to the Section Medicinal Chemistry)
Recent Research Advances in Green Extraction of Natural Products submission deadline 30 Dec 2026 | 1 articles | Viewed by 946 | Submission Open
Keywords: sustainable chemistry; natural products; bio-based solvents; process intensification; sustainable extraction technologies; biomass valorization
(This special issue belongs to the Section Natural Products Chemistry)
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