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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 Metallocene Chemistry
edited by
submission deadline 28 Feb 2026 | 2 articles | Viewed by 2151 | Submission Open
Keywords: metallocene; macromolecular chemistry; bio-organometallic chemistry; catalysis
(This special issue belongs to the Section Organometallic Chemistry)
Density Functional Theory: From Fundamentals to Applications
edited by
submission deadline 28 Feb 2026 | 2 articles | Viewed by 2070 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; surface modification; structural optimization; electronic proprieties; chemical bond; structure; and reactivity; gas sensing; adsorption and desorption; nanomaterials and nanotechnology
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Research on Changes in Nutritional Components and Structure During Food Processing
edited by , Wei Qin and Natthawuddhi Donlao
submission deadline 28 Feb 2026 | 2 articles | Viewed by 1873 | Submission Open
Keywords: food structure; nutritional components; bioactive compounds; food processing; phytochemicals; health benefits
(This special issue belongs to the Section Food Chemistry)
Chemistry and Applications of Compounds Containing Quinoline or Isoquinoline Structure submission deadline 28 Feb 2026 | 1 articles | Viewed by 1804 | Submission Open
Keywords: quinoline; isoquinoline; synthesis; molecular structure; alkaloids; fluorescence; green chemistry; crystal structure; structure– activity relationship; antitumor agents
(This special issue belongs to the Section Organic Chemistry)
Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences submission deadline 28 Feb 2026 | 2 articles | Viewed by 1796 | Submission Open
Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor
(This special issue belongs to the Section Nanochemistry)
Molecular Magnetic Response and Aromaticity
edited by Mesías Orozco-Ic
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1767 | Submission Open
Keywords: aromaticity; magnetic response calculations; magnetic shielding; magnetically induced current densities.
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 28 Feb 2026 | 2 articles | Viewed by 1698 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Natural Bioactive Compounds: Therapeutic Potential in the Management of Chronic Diseases submission deadline 28 Feb 2026 | 1 articles | Viewed by 1662 | Submission Open
Keywords: natural bioactives; phytochemicals; polyphenols; isoprenoids; alkaloids; bioactive lipids and peptides; prebiotics; postbiotics; chronic diseases; non-communicable diseases
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Photocatalysts for Environmental Remediation and Contaminant Removal
edited by
submission deadline 28 Feb 2026 | 2 articles | Viewed by 1479 | Submission Open
Keywords: nonbiodegradable organic contaminants; antibiotic contaminants; dye contaminants; pesticide pollutants; photocatalytic degradation; advanced photocatalysts; oxidic radicals; degradation pathways; degradation mechanism; photophysical property; photochemical property
(This special issue belongs to the Section Applied Chemistry)
Natural Product-Inspired Drug Discovery: From Molecular Design to Safety and Translational Pharmacology
edited by and Hassan Y. Ebrahim
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1452 | Submission Open
Keywords: metabolism; molecular design; molecular mechanistic pathways; natural products; PKs/PDs; RNA/DNA Sequencing; toxicity/safety
(This special issue belongs to the Section Medicinal Chemistry)
Novel Organic-Inorganic Hybrid Porous Photochromic Materials
edited by Junbiao Wu
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1431 | Submission Open
Keywords: photochromism; porous materials; open-frameworks; inorganic– organic hybrid; electron transfer; light sensors; inkless printing; anticounterfeiting
(This special issue belongs to the Section Inorganic Chemistry)
Innovative Chemical Technologies for Rare Earth Element Processing
edited by Yuefei Zhang and Fang Zhou
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1419 | Submission Open
Keywords: rare-earth; weathered crust elution-deposited rare-earth ores; leaching; compound leaching agents; intermolecular interaction
Application of Natural Products in the Treatment of Neurodegenerative Diseases
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1402 | Submission Open
Keywords: natural products; neurovascular and neurodegenerative diseases; neuroprotection; bioactive compounds; drug discovery; molecular mechanisms; multi-target therapy; neuroinflammation
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis and Spectroscopic Characterization of Organometallic Compounds
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1335 | Submission Open
Keywords: catalytic activity; synthesis and reactivity; spectroscopy; reaction mechanism; structural and spectroscopic characterization; turnover number (abbreviated TON); electrochemistry
(This special issue belongs to the Section Organic Chemistry)
Emerging Drug Targets: New Challenges for the Medicinal Chemist
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1323 | Submission Open
Keywords: drug repurposing; drug repositioning; drug design; target validation; molecular modeling; interaction studies; organic synthesis; artificial intelligence
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in DNA/Protein Biosensors submission deadline 28 Feb 2026 | 1 articles | Viewed by 1164 | Submission Open
Keywords: biosensors; DNA; RNA; proteins; biomarkers
(This special issue belongs to the Section Analytical Chemistry)
Advances in Functional Foods, 2nd Edition submission deadline 28 Feb 2026 | 1 articles | Viewed by 1146 | Submission Open
Keywords: functional food ingredients; delivery of bioactives; bioavailability of bioactives; technological aspects; health benefits; personalized nutrition; health claims
(This special issue belongs to the Section Food Chemistry)
Functional Materials: Synthesis Strategies and Environmental Applications
edited by and
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1134 | Submission Open
Keywords: environmental remediation; pollutant removal; materials chemistry; catalytic materials; environmental chemistry
(This special issue belongs to the Section Materials Chemistry)
Biocatalytic Platforms Towards Synthesis and Degradation Processes submission deadline 28 Feb 2026 | 1 articles | Viewed by 937 | Submission Open
Keywords: biotechnology; bioconversions; biodegradations; green chemistry
(This special issue belongs to the Section Bioorganic Chemistry)
Chiral Nanomaterials: Synthesis, Properties, and Applications
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 885 | Submission Open
Keywords: chiral nanomaterial; property; synthesis; application
(This special issue belongs to the Section Applied Chemistry)
Oxidative Stress and Antioxidants in Degenerative Conditions
edited by Eleni A. Rekka and
submission deadline 28 Feb 2026 | 1 articles | Viewed by 866 | Submission Open
Keywords: antioxidants; oxidative stress; chronic-degenerative diseases; hormonal imbalance; anti-inflammatory activity; multi-targeting compounds
(This special issue belongs to the Section Medicinal Chemistry)
Porous Materials for Environmental Pollutant Adsorption and Degradation
edited by and Orsina Verdeş
submission deadline 28 Feb 2026 | Viewed by 850 | Submission Open
Keywords: microporous and mesoporous materials; adsorbents; environmental applications; physical and chemical characterizations of materials; carbon capture and utilization (CCU); CO2 adsorption mechanisms; adsorbent regeneration; heterogeneous catalytic reactions
(This special issue belongs to the Section Materials Chemistry)
Porous Carbon Materials: Preparation and Application, 2nd Edition
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 613 | Submission Open
Keywords: porous carbon materials; energy storage; environmental science; sensors; adsorption; catalysis
(This special issue belongs to the Section Applied Chemistry)
Advances in Chemical Analysis Procedures (Part III): Future Trends in Reducing the Environmental Impact submission deadline 28 Feb 2026 | 1 articles | Viewed by 512 | Submission Open
Keywords: green approaches; analytical chemistry; instrumental analysis; sample preparation; quantitative analysis; AI; tools; metrics
(This special issue belongs to the Section Analytical Chemistry)
Plant Bioactive Compounds in Pharmaceuticals, 2nd Edition submission deadline 28 Feb 2026 | 1 articles | Viewed by 497 | Submission Open
Keywords: bioactive compounds; medicinal plant; phytocomplexes; cell cultures
(This special issue belongs to the Section Natural Products Chemistry)
Natural Dyes for the Textile and Leather Industries—for the Future’s Sustainability submission deadline 28 Feb 2026 | Viewed by 435 | Submission Open
Keywords: natural dyes; textile and leather industries; extraction methodologies; pigment characterization; new dye to fiber binding agents and strategies; bioactive properties; industrial applications
(This special issue belongs to the Section Colorants)
Chemical Modifications and Interactions of Food Macromolecules: Mechanisms and Impacts on Quality
edited by Ling Liu and Yixiao Shen
submission deadline 28 Feb 2026 | 1 articles | Viewed by 427 | Submission Open
Keywords: lipid; protein; molecular interactions; food safety; food stability
(This special issue belongs to the Section Food Chemistry)
Visible Light Active Photocatalysts for Organic Synthesis
edited by Wentao Xu
submission deadline 28 Feb 2026 | Viewed by 352 | Submission Open
Keywords: organic chemistry; photocatalyst; synthesis; radical; single-electron transfer; atom transfer; energy transfer
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in Fluorescent Probes: Design, Synthesis, Properties and Application
edited by Zhaoyang Wang and Yancheng Wu
submission deadline 28 Feb 2026 | Viewed by 334 | Submission Open
Keywords: fluorescent probes; fluorescent sensors; fluorescent analytical technology; chemical detection; biological detection; fluorescence
(This special issue belongs to the Section Photochemistry)
Research Advances in Li-Ion Battery Materials: Present and Future
edited by
submission deadline 28 Feb 2026 | Viewed by 304 | Submission Open
Keywords: lithium-ion battery; anode materials; cathode materials; characterization
(This special issue belongs to the Section Applied Chemistry)
Hierarchical Organization in Polymeric and Amphiphilic Self-Assembly
edited by Thi Vo
submission deadline 28 Feb 2026 | Viewed by 245 | Submission Open
Keywords: self-assembly; amphiphile; polymers; computational modeling; synthesis; material design
(This special issue belongs to the Section Macromolecular Chemistry)
Advances in Radiation Detection Materials and Technology
edited by Qianli Li and Weiguang Yang
submission deadline 28 Feb 2026 | Viewed by 244 | Submission Open
Keywords: radiation-sensitive material; scintillation material; luminescent center optimization; radiation detection materials; flexible dosimeter; semiconductor heterostructure engineering; synthesis; characterization; application; determination of the crystal structure of biomacromolecules
Anti-Cancer and Anti-Inflammatory Activity of Medicinal Plants
edited by
submission deadline 28 Feb 2026 | Viewed by 239 | Submission Open
Keywords: medicinal plants; anti-cancer activity; anti-inflammatory activity; natural products; modification; derivatives; bioassay
(This special issue belongs to the Section Medicinal Chemistry)
Heterocyclic Bioactive Molecules: Structural Analysis and Innovative Applications in Medicinal Chemistry submission deadline 28 Feb 2026 | Viewed by 230 | Submission Open
Keywords: heterocyclic compounds; drug design; AI machine learning; bioorthogonal chemistry; molecular imaging; small-molecule probes; PROTAC
(This special issue belongs to the Section Medicinal Chemistry)
Computational Chemistry in Homogeneous and Heterogeneous Catalysis and Surface Chemistry
edited by Haya Kornweitz and
submission deadline 28 Feb 2026 | Viewed by 230 | Submission Open
Keywords: density functional theory (DFT); heterogeneous catalysis; homogeneous catalysis; surface reactions; reaction mechanism; metallic Surfaces; nanoparticles; adsorption; desorption; ab initio calculations; material science; surface modelling; reaction kinetics; thermochemistry and reactivity; transition State theory; potential energy surfaces (PES); hydrogenation; hydrogen evolution reaction (HER); oxygen evolution reaction (OER); CO2 reduction; electrocatalysis; machine learning
Secondary Metabolites: Green Isolation, AI-Assisted Elucidation, and Mechanistic Insight
edited by Niko Radulović and
submission deadline 28 Feb 2026 | Viewed by 226 | Submission Open
Keywords: secondary metabolites; natural products; AI/ML dereplication; metabolomics; advanced NMR/MS; green/flow isolation; chemoproteomics; mechanism of action; FAIR data
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry of Amino Acids, Peptides, and Proteins
edited by and Nicholas Truex
submission deadline 28 Feb 2026 | Viewed by 206 | Submission Open
Keywords: amino acids; peptides; proteins; synthesis; derivatives; characterization; structural studies; biophysical properties; natural products
(This special issue belongs to the Section Macromolecular Chemistry)
Harnessing Peptides and Peptidomimetics in Modern Drug Discovery
edited by
submission deadline 28 Feb 2026 | Viewed by 193 | Submission Open
Keywords: peptide synthesis; peptidomimetics; cyclic peptides; peptide therapeutics; peptide drug discovery; modified peptides; bioactive peptides
(This special issue belongs to the Section Medicinal Chemistry)
Theme Issue in Honor to Prof. Dr. Douglas Stephan’ Great Achievement in Inorganic Chemistry
edited by Meera Mehta and Andrew Jupp
submission deadline 28 Feb 2026 | Viewed by 189 | Submission Open
Keywords: inorganic chemistry; catalysis; complexes
Chemical Biology in Europe submission deadline 28 Feb 2026 | Viewed by 189 | Submission Open
Keywords: chemical probes; bioorthogonal chemistry; chemical proteomics; target identification; probe-based visualization; PTM detection
(This special issue belongs to the Section Chemical Biology)
Synthesis and Characterization of Functional Materials for Electrochemical Energy Storage and Conversion—2nd Edition
edited by Feifei Wang
submission deadline 28 Feb 2026 | Viewed by 187 | Submission Open
Keywords: energy storage and conversion; electrochemical systems; batteries; hydrogen; supercapacitors; CO2 conversion
Complexes as Tool for Design and Synthesis of Species with Biological Application
edited by
submission deadline 28 Feb 2026 | Viewed by 183 | Submission Open
Keywords: metal complex; resistance; biofilm; antitumor; carrier; target biomolecule; drug design; hybrid material
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in Radical Chemistry
edited by and Ying Cheng
submission deadline 28 Feb 2026 | Viewed by 180 | Submission Open
Keywords: radical chemistry; radical cross-coupling; photocatalysis; electrochemical synthesis; transition metal catalysis
(This special issue belongs to the Section Organic Chemistry)
Fluorescent Sensing in Food and Environmental Detection submission deadline 28 Feb 2026 | Viewed by 177 | Submission Open
Keywords: environmental pollutants; food contaminants; organic residues; heavy metals; fluorescent sensing; fluorescent materials; food analysis; food quality; pollutant monitoring; food safety
(This special issue belongs to the Section Analytical Chemistry)
Current Topics and Applications of Chiral Auxiliaries
edited by Shawn Raynard Hitchcock
submission deadline 28 Feb 2026 | Viewed by 173 | Submission Open
Keywords: chiral auxiliary; asymmetric synthesis; diastereoselection; organic synthesis; stereochemistry; chiral control
(This special issue belongs to the Section Organic Chemistry)
Metal Ions and Metal Complexes in Medicinal Chemistry submission deadline 28 Feb 2026 | Viewed by 170 | Submission Open
Keywords: metal ions; metal complexes; synthesis; study; spectral analysis; biological activity; ligands
(This special issue belongs to the Section Medicinal Chemistry)
Green Organic Synthesis: Innovations for a Sustainable Future
edited by
submission deadline 28 Feb 2026 | Viewed by 164 | Submission Open
Keywords: sustainability; organic synthesis; green chemistry; precise synthesis; chemoselectivity; regioselectivity; enantioselectivity; catalysis
(This special issue belongs to the Section Organic Chemistry)
Bioactive Molecules for Targeted Cancer Therapy
edited by and Robert A. Falconer
submission deadline 28 Feb 2026 | Viewed by 160 | 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)
Synthesis of Natural Compounds and Derivatives
edited by Fanie van Heerden and Mamoalosi Selepe
submission deadline 28 Feb 2026 | Viewed by 153 | Submission Open
Keywords: natural compounds; synthesis; total synthesis; semi-synthesis; derivatives
(This special issue belongs to the Section Natural Products Chemistry)
Nitrogen Containing Heterocyclic Scaffolds: Synthesis and Bioactivity
edited by and
submission deadline 28 Feb 2026 | Viewed by 147 | Submission Open
Keywords: heterocycles; heteroaromatics; drug discovery; organic synthesis; structure-activity relationship
(This special issue belongs to the Section Medicinal Chemistry)
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