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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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Magnetic Nanomaterials: Design, Properties and Potential Applications
edited by , Katarzyna Błoch and
submission deadline 30 Jun 2027 | Viewed by 272 | Submission Open
Keywords: magnetism, magnetic nanomaterials; nanoparticles, nanowires, nanotubes, nanoribbons, thin films, molecular magnets; design and synthesis of magnetic materials; characterization of magnetic materials; theoretical modeling and simulations of magnetic materials; applications of magnetic materials
(This special issue belongs to the Section Materials Chemistry)
Valorization Strategies for Plant-Based By-Products
edited by and Beenish Saba
submission deadline 30 Jun 2027 | Viewed by 182 | Submission Open
Keywords: valorization; biorefinery; bioeconomy; sustainability; circularity; upcycling; bioconversion; biomass; extraction; fermentation; bioprocessing; residues
(This special issue belongs to the Section Green Chemistry)
Biomarker Discovery and Targeted Therapies in Disease
edited by Bo Guo
submission deadline 30 Jun 2027 | Viewed by 89 | Submission Open
Keywords: biomarker discovery; precision medicine; targeted therapy; artificial intelligence; multi-omics; proteomics; medical imaging; robot-assisted percutaneous biopsy; extracellular vesicles; translational medicine
(This special issue belongs to the Section Chemical Biology)
Food Bioactives with Antioxidant Properties in Complex Food Systems
edited by and Assamae Chabni
submission deadline 30 Jun 2027 | Viewed by 63 | Submission Open
Keywords: food bioactives; antioxidant properties; complex food systems; food matrix; structure function; relationships; phenolic compounds; bioactive lipids; oxidative stability; bioaccessibility; green extraction
(This special issue belongs to the Section Food Chemistry)
Molecular Self-Assemblies for Biomedical Applications
edited by Mu-Ping Nieh
submission deadline 30 Jun 2027 | Viewed by 45 | Submission Open
Keywords: self-assembly; biomolecules; nanoscale characterization; amphiphilic molecules
(This special issue belongs to the Section Materials Chemistry)
Hydrogels: Molecular Design, Dynamic Networks and Emerging Applications
edited by and Hong Zhang
submission deadline 30 Jun 2027 | Viewed by 28 | Submission Open
Keywords: hydrogels; molecular design; dynamic networks; stimuli-responsive materials; tissue adhesion; drug delivery; food preservation; environmental applications
(This special issue belongs to the Section Materials Chemistry)
Structurally Diverse Triterpene Derivatives for Drug Discovery: Extraction, Synthesis, and Biological Evaluation submission deadline 30 Jun 2027 | Viewed by 11 | Submission Open
Keywords: triterpenes; bioactive compounds; semi-synthesis; biological study; ADMET; structure–activity relationship; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Predicting Optical and Electromagnetic Properties in Complex Molecular Systems submission deadline 30 Jun 2027 | Viewed by 5 | Submission Open
Keywords: optical properties; spectroscopy (NMR, CD, UV-Vis); induced current density; nonlinear optics; electronic structure methods; molecular modeling
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Molecular Assembly and Crystal Structure
edited by and
submission deadline 30 Jun 2027 | Viewed by 5 | Submission Open
Keywords: molecular assembly; crystal structure; molecular packing evolution; structure–property relationship; supramolecular self-assembly; crystallization mechanism; noncovalent interactions
(This special issue belongs to the Section Molecular Structure)
Pharmacological, Metabolic and Toxicological Profiling of Xenobiotics
edited by Yantong Sun and
submission deadline 1 Jul 2027 | Viewed by 11 | Submission Open
Keywords: xenobiotics; natural products; pharmacology; toxicity; metabolites; gut microbiota; pharmacokinetics
(This special issue belongs to the Section Medicinal Chemistry)
Molecular Approaches to Drug Design: From Target Identification to Delivery
edited by
submission deadline 31 Jul 2027 | 2 articles | Viewed by 4886 | Submission Open
Keywords: drug design; target identification; drug delivery; protein-based therapeutics; targeted therapy
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Nanomaterials for Clean Energy Utilization and Pollution Control
edited by Xianglin Zhu
submission deadline 31 Jul 2027 | Viewed by 32 | Submission Open
Keywords: photocatalysis; hydrogen energy; CO2 reduction; advanced oxidation processes; nanomaterials; environmental remediation; energy conversion
(This special issue belongs to the Section Materials Chemistry)
ECSOC-30 submission deadline 31 Jul 2027 | Viewed by 18 | Submission Open
Keywords: bioorganic chemistry; medicinal chemistry; natural products; organic synthesis; physical organic chemistry; supramolecular chemistry; polymer
(This special issue belongs to the Section Organic Chemistry)
Low-Dimensional Materials for Energy Applications
edited by
submission deadline 31 Jul 2027 | Viewed by 15 | Submission Open
Keywords: electrochemical energy storage and conversion; batteries; supercapacitors; electrocatalysis; nanomaterials
(This special issue belongs to the Section Materials Chemistry)
Advanced Materials for Carbon Dioxide Capture, Separation, Utilization and Storage submission deadline 31 Aug 2027 | Viewed by 15 | Submission Open
Keywords: carbon dioxide capture; carbon capture, utilization, and storage (CCUS); gas separation; adsorption; porous materials; carbon-based materials; catalysis; surface functionalization; membranes; direct air capture (DAC); carbon dioxide utilization; computational modeling; machine learning; sustainability
(This special issue belongs to the Section Materials Chemistry)
Advances in Nanoparticulate Drug Delivery Systems for Targeted Therapy submission deadline 31 Dec 2027 | 1 articles | Viewed by 1862 | Submission Open
Keywords: nanocarriers; green synthesis; surface functionalization; stimulus-responsive systems; enhanced permeation and retention (EPR) effect; cell-membrane coating; ligand–receptor interactions; small-molecule ligands; biocompatibility; precision medicine
(This special issue belongs to the Section Nanochemistry)
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