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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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Recent Advances in Amino Acid-Based Ionic Liquids
edited by
submission deadline 31 May 2027 | Viewed by 298 | Submission Open
Keywords: synthesis; physicochemical properties; theoretical studies; functional materials; drug formulation; (bio)separation; (bio)catalysis; toxicity
(This special issue belongs to the Section Molecular Liquids)
Production and Applications of Nature-Based Bioactive Compounds in Food, Cosmetic, Agricultural, and Pharmaceutical Sectors submission deadline 31 May 2027 | Viewed by 129 | Submission Open
Keywords: agro-waste valorization; anticancer activity; antimicrobial compounds; anti-inflammatory activity; antioxidants; bioactive compounds from microorganisms; circular economy; medicinal and aromatic plants; nature-based active ingredients; skin protection; pigments; biopolymers; lipids; carbohydrates; food; cosmetics; agriculture; pharmaceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Molecules for Cosmetics Discovery: From Natural Product to Advanced Nanotechnology
edited by M. P. Vinardell
submission deadline 31 May 2027 | Viewed by 81 | Submission Open
Keywords: bioactive natural products; nanotechnology in cosmetics; transdermal drug delivery systems; green extraction and synthesis; molecular mechanisms of action; liposomes and nanoemulsions; sustainable cosmetic development; functional characterization and safety
(This special issue belongs to the Section Natural Products Chemistry)
Inorganic Luminescence Materials and Their Applications
edited by , Eralci Moreira Therézio and Ariosvaldo Junior Sousa Silva
submission deadline 31 May 2027 | Viewed by 60 | Submission Open
Keywords: luminescent materials; photophysics; photoluminescence; rare-earth-doped materials; optical spectroscopy; semiconductor oxides; perovskites; functional materials; nanostructured materials; optical properties; LEDs; optical sensors; energy conversion; electronic structure; computational materials science
(This special issue belongs to the Section Materials Chemistry)
Recent Development in Metal Coordination Compounds
edited by Mehmet Hakan Morcali
submission deadline 31 May 2027 | Viewed by 40 | Submission Open
Keywords: transition metals; coordination compounds; Schiff base; MOF
(This special issue belongs to the Section Inorganic Chemistry)
Supercritical Fluids and Green Processing for Bioactive Compounds and Functional Materials
edited by Camila Guindani and Evertan A. Rebelatto
submission deadline 31 May 2027 | Viewed by 39 | Submission Open
Keywords: supercritical fluid extraction (SFE); bioactive compounds; functional materials; supercritical CO2; biomass valorization; phase equilibrium; encapsulation; biorefinery; natural products; green solvents
(This special issue belongs to the Section Green Chemistry)
Metal Complexes: From Synthesis to Applications
edited by Beata Cristóvao and
submission deadline 31 May 2027 | Viewed by 27 | Submission Open
Keywords: metal complexes; structural characterization; catalysis; medicinal chemistry; functional materials; metal–organic frameworks (MOFs); coordination polymers; molecular magnetism; luminescence; sensors
(This special issue belongs to the Section Organometallic Chemistry)
Plant Bioactives: Chemical Characterization, Mechanistic Insights, and Biomedical Translation
edited by
submission deadline 31 May 2027 | Viewed by 21 | Submission Open
Keywords: plant bioactives; metabolomics; molecular mechanisms; biological activities; biomedical applications
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Molecular Isomerization
edited by Sándor Góbi
submission deadline 31 May 2027 | Viewed by 10 | Submission Open
Keywords: matrix-isolation spectroscopy; cryogenics; photochemistry; conformational switching; conformational landscapes; quantum tunneling; reaction dynamics; molecular switches; conformational chemistry
(This special issue belongs to the Section Molecular Structure)
Low-Dimensional Semiconducting Materials for Advanced Gas Sensing
edited by
submission deadline 31 May 2027 | Viewed by 8 | Submission Open
Keywords: low-dimensional material; semiconductors gas sensing; colloidal quantum dots; two-dimensional materials; electronic nose; intelligent olfaction
(This special issue belongs to the Section Materials Chemistry)
Advancement in Phytochemistry and Pharmacology of Medicinal Plants
edited by and Claúdia Quintino Da Rocha
submission deadline 30 Jun 2027 | 8 articles | Viewed by 8183 | Submission Open
Keywords: green chemistry and sustainable chemical processes; advanced thin layer chromatography; ethical application of artificial intelligence in natural products; natural product platforms; pharmaceutical biotechnology and chemical innovation; bioprospecting; phytomedicine; in vivo and in vitro ethnopharmacological studies; promising chemical–biological studies by research groups; phytomedicine and chemical standardization of herbal formulations
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis of Anticancer Agents for Targeted Therapy
edited by
submission deadline 30 Jun 2027 | 3 articles | Viewed by 5052 | Submission Open
Keywords: organic synthesis of anticancer compounds; targeted cancer therapy; medicinal chemistry; structure–activity relationship (SAR); molecular-targeted therapy; drug development; chemotherapeutic agents; cell signaling pathways; monoclonal antibody; cancer-altered pathway
(This special issue belongs to the Section Medicinal Chemistry)
Bioavailability of Bioactive Food Compounds submission deadline 30 Jun 2027 | 2 articles | Viewed by 3620 | Submission Open
Keywords: bioactivity; bioavailability; in vitro; metabolism; gastrointestinal models; dietary phytochemicals; food processing technology; non-thermal treatment
(This special issue belongs to the Section Food Chemistry)
Nanomaterial-Based Biosensors: From Design to Analytical Applications
edited by Irene Ojeda and Diana Vilela-Garcia
submission deadline 30 Jun 2027 | 1 articles | Viewed by 748 | Submission Open
Keywords: nanomaterial-based biosensors; nanomaterials; electrochemical biosensors; nanocomposites; analytical chemistry; electrode modification; nanostructures; sensor interfaces; electroanalysis; biofunctionalization
(This special issue belongs to the Section Nanochemistry)
Small-Molecule Inhibitors as Anticancer Drugs submission deadline 30 Jun 2027 | Viewed by 485 | Submission Open
Keywords: small-molecule apoptosis-protein-family inhibitors; small-molecule mitotic inhibitors; small-molecule kinase inhibitors; small-molecule receptor tyrosine kinase inhibitors; small-molecule non-receptor tyrosine kinase inhibitors; small-molecule serine/threonine kinase inhibitors; small-molecule epigenetic inhibitors; small-molecule proteasome inhibitors; small-molecule inhibitors for disrupting protein–protein interactions; small-molecule inhibitors aimed at exploiting tumor metabolic vulnerabilities
(This special issue belongs to the Section Medicinal Chemistry)
Magnetic Nanomaterials: Design, Properties and Potential Applications
edited by , Katarzyna Błoch and
submission deadline 30 Jun 2027 | Viewed by 274 | 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 184 | 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 90 | 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 69 | 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 31 | 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 21 | 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)
Molecular Assembly and Crystal Structure
edited by and
submission deadline 30 Jun 2027 | Viewed by 20 | 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)
Predicting Optical and Electromagnetic Properties in Complex Molecular Systems submission deadline 30 Jun 2027 | Viewed by 11 | 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)
Pharmacological, Metabolic and Toxicological Profiling of Xenobiotics
edited by Yantong Sun and
submission deadline 1 Jul 2027 | Viewed by 12 | 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 4904 | 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 22 | 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 16 | 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 18 | 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 1873 | 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)
Advances in Electrocatalysis and Photocatalysis for Energy and Environment
edited by Robson Rocha
submission deadline 31 Dec 2027 | Submission Open
Keywords: electrochemical materials; photoredox reactions; photo-assisted processes; electrochemical processes; nanocomposites; semiconductors
(This special issue belongs to the Section Electrochemistry)
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