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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 Molecular Modeling in Chemistry, 3rd Edition
edited by
submission deadline 31 Jan 2027 | 2 articles | Viewed by 1818 | Submission Open
Keywords: molecular modeling; applications; quantum chemistry calculation; molecular dynamic simulation; Monte Carlo simulation; combined experimental and simulation studies
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Biopolymer-Based Materials: Preparation, Properties and Applications
edited by
submission deadline 31 Jan 2027 | 3 articles | Viewed by 1809 | Submission Open
Keywords: biopolymer; biopolymer based; material; preparation; processing; characterization; modification; physicochemical; mechanical; application; packaging; biomedical engineering; agriculture; environmental remediation
(This special issue belongs to the Section Green Chemistry)
Bioactive Compounds in Food: Extraction and Characterization submission deadline 31 Jan 2027 | 3 articles | Viewed by 1566 | Submission Open
Keywords: bioactive compounds; food matrices; extraction techniques; green technologies; analytical characterization; structural elucidation; stability and bioavailability; functional food applications
(This special issue belongs to the Section Food Chemistry)
Advanced Approaches for Analysis of Food Contaminants and Residues submission deadline 31 Jan 2027 | 1 articles | Viewed by 1561 | Submission Open
Keywords: allergens in foods; antibiotics in food products; endocrine-disrupting substances; food additives; food contact materials; mycotoxins; pesticides; polyaromatic hydrocarbons (PAH); process-induced changes and oxidation products
(This special issue belongs to the Section Analytical Chemistry)
Nutritional Enhancement and Functional Innovation of Plant-Based Foods submission deadline 31 Jan 2027 | 1 articles | Viewed by 1548 | Submission Open
Keywords: plant-based foods; plant product bioavailability; vegan diet; nutritional enhancement; functional innovation; protein fortification; sustainable nutrition
(This special issue belongs to the Section Food Chemistry)
Circular Economy: Agri-Food Byproducts as Source of Bioactive Compounds, 2nd Edition submission deadline 31 Jan 2027 | 2 articles | Viewed by 1493 | Submission Open
Keywords: agri-food byproducts; plant extracts; food extracts; essential oils; bioactive compounds; nutraceuticals; micromorphology; phytochemistry; health effects; eco-sustainability
(This special issue belongs to the Section Green Chemistry)
Advances in Porphyrinoid-Based Functional Materials submission deadline 31 Jan 2027 | 1 articles | Viewed by 1492 | Submission Open
Keywords: porphyrinoids; synthetic approaches; functional materials; medicine; environment; energy; sensing; catalysis
(This special issue belongs to the Section Organic Chemistry)
Hybrid and Hierarchical Zeolite-Based Platforms for Sustainable Remediation and Resource Recovery
edited by and
submission deadline 31 Jan 2027 | 1 articles | Viewed by 1462 | Submission Open
Keywords: hybrid and hierarchical zeolite-based materials; environmental remediation technologies; PFAS and emerging persistent pollutants; water, air, and soil treatment; functional porous platforms; natural, synthetic, composite, and nano-zeolites; structure–contaminant interaction mechanisms; circular economy and sustainable applications
(This special issue belongs to the Section Materials Chemistry)
Recent Advances on Biomass Conversion and CO2 Valorization: Steeping Towards a Circular Economy, 2nd Edition
edited by and Eva Castillejos-Lopéz
submission deadline 31 Jan 2027 | 1 articles | Viewed by 1348 | Submission Open
Keywords: CO2 valorization; biomass conversion; catalysis
(This special issue belongs to the Section Green Chemistry)
Unlocking the Potential of Agro-Forestry Residues: Biomolecules for Diverse Applications and Multifunctional Uses submission deadline 31 Jan 2027 | 1 articles | Viewed by 1326 | Submission Open
Keywords: waste management; recycling; lignin; tannins; cellulose; additives; eco-friendly materials; nanotechnology; sustainability; circular economy
(This special issue belongs to the Section Green Chemistry)
Green Valorization of Food By‑Products: Bioactive Molecules and Food‑Grade Delivery Systems submission deadline 31 Jan 2027 | 2 articles | Viewed by 1222 | Submission Open
Keywords: valorization; food; agro‑industrial by‑product; fruit; vegetable; botanical; delivery; encapsulation; extraction; characterization; cold pressing; pressurized liquids; ultrasound; microwave; supercritical; subcritical; phenolic; terpene; lipid; peptide; polysaccharide; purification; structure–activity relationship; bioefficacy; antioxidant; antimicrobial; anti‑inflammatory; spray‑dried microcapsule; complex coacervate; nanoemulsion; cyclodextrin inclusion complex; ionotropic gelation system; controlled release; nutraceutical; active packaging; circular‑bioeconomy metrics; shelf‑life; in silico
(This special issue belongs to the Section Food Chemistry)
Computational Design of Nanomaterials for Environmental and Biomedical Applications submission deadline 31 Jan 2027 | Viewed by 1219 | Submission Open
Keywords: computational nanomaterials design; molecular modeling and simulation; machine learning in materials science; environmental remediation nanomaterials; nanomedicine and drug delivery; biocompatibility and safety assessment; quantum chemistry and multiscale modeling; sustainable nanotechnology
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Green Chemistry Approaches to Analysis and Environmental Remediation—2nd Edition
edited by
submission deadline 31 Jan 2027 | 2 articles | Viewed by 983 | Submission Open
Keywords: chromatography; mass spectrometry; extraction; green analytical chemistry; emerging contaminants
(This special issue belongs to the Section Analytical Chemistry)
Advanced Analytical Techniques for the Detection and Quantification of Emerging Contaminants, 2nd Edition submission deadline 31 Jan 2027 | 1 articles | Viewed by 800 | Submission Open
Keywords: extraction protocols; method development; determination of emerging contaminants; fate and transformation of contaminants; environmental monitoring; advanced separation techniques; high-resolution mass spectrometry; identification workflows
(This special issue belongs to the Section Analytical Chemistry)
Production of Artemisia and Its Pharmacology vs. Artemisinin
edited by and Yuliang Wang
submission deadline 31 Jan 2027 | 1 articles | Viewed by 684 | Submission Open
Keywords: Artemisia annua; Artemisia afra; synergism; infectious and chronic diseases; phytochemistry; artemisinin biosynthesis
(This special issue belongs to the Section Natural Products Chemistry)
Molecular Design and Synthesis of Novel Energetic Compounds, 2nd Edition
edited by
submission deadline 31 Jan 2027 | 1 articles | Viewed by 538 | Submission Open
Keywords: energetic compounds; molecular design; synthesis; structure; performance; sensitivity
Innovations in Heterocyclic Chemistry: Synthesis, Characterization and Bioactivity
edited by Fernanda da Costa Santos Boechat, Maria Cecília B. V. De Souza, and
submission deadline 31 Jan 2027 | Viewed by 532 | Submission Open
Keywords: heterocycles; synthesis; bioactivity; medicinal chemistry; structure-activity relationship (SAR); green chemistry; biochromatography; sustainability
(This special issue belongs to the Section Medicinal Chemistry)
Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application—2nd Edition submission deadline 31 Jan 2027 | 1 articles | Viewed by 526 | Submission Open
Keywords: natural and semisynthetic products; extraction, isolation, and purification; identification and structural elucidation; biological properties; multidisciplinary applications
(This special issue belongs to the Section Natural Products Chemistry)
Natural Products: Isolation, Analysis and Biological Activity, 3rd Edition submission deadline 31 Jan 2027 | 1 articles | Viewed by 523 | Submission Open
Keywords: essential oils; plant extracts; biological activities; antiproliferative activity; enzymatic inhibitor activity; phytotoxic activity; bioactive compounds in natural products; secondary metabolites; structure–activity relationships; antimicrobial activity; phytopathogens
(This special issue belongs to the Section Natural Products Chemistry)
Design and Applications of Phase Change Materials for Energy Storage and Conversion
edited by and Yinsheng Yu
submission deadline 31 Jan 2027 | 1 articles | Viewed by 511 | Submission Open
Keywords: phase change materials; materials chemistry; energy conversion and storage; thermally conductive composites; microencapsulation and interfacial engineering
(This special issue belongs to the Section Materials Chemistry)
Microbe Metabolites as Functional and Bioactive Components in Food
edited by
submission deadline 31 Jan 2027 | Viewed by 505 | Submission Open
Keywords: microbial metabolites; functional food; bioactive compounds; fermentation; gut microbiota; single-cell protein; microbial lipids; natural pigments; probiotics
Studies in Polymer Degradation
edited by , Edcleide Maria Araujo and Bastos Y. M. De Almeida
submission deadline 31 Jan 2027 | Viewed by 434 | Submission Open
Keywords: degradation mechanisms; photooxidation; thermal degradation; upcycling technologies and additivities
(This special issue belongs to the Section Macromolecular Chemistry)
Advanced Manufacturing and Interface Engineering for Perovskite Materials
edited by Chaoyu Xiang
submission deadline 31 Jan 2027 | 1 articles | Viewed by 432 | Submission Open
Keywords: metal halide perovskite; photovoltaics; LED; detectors and sensors
(This special issue belongs to the Section Materials Chemistry)
Synthesis and Application of Heteroatomic Containing Compounds
edited by
submission deadline 31 Jan 2027 | Viewed by 349 | Submission Open
Keywords: organometallic syntheses; heteroatomic asymmetry center; P-stereogenic center; asymmetric syntheses; enantioselective syntheses; transition metal complexes
(This special issue belongs to the Section Applied Chemistry)
Analysis and Application of Bioactive Compounds in Functional Foods submission deadline 31 Jan 2027 | Viewed by 313 | Submission Open
Keywords: nutritional bioactive compounds; non-nutritional bioactive compounds; functional foods development; food supplement; green extraction approach; new analytical methods; bioaccessibility; bioavailability
(This special issue belongs to the Section Food Chemistry)
Chemical and Functional Characterization of Novel Plant Proteins
edited by
submission deadline 31 Jan 2027 | Viewed by 273 | Submission Open
Keywords: novel plant proteins; chemical characterization; functional properties; protein structure–function relationships; extraction and modification techniques; techno-functional behavior; protein digestibility and bioactivity; sustainable protein sources
(This special issue belongs to the Section Food Chemistry)
Flavors and Fragrances in China
edited by
submission deadline 31 Jan 2027 | Viewed by 265 | Submission Open
Keywords: Chinese foods; flavor chemistry; flavor analysis; GC–MS/olfactometry; Chinese baijiu
(This special issue belongs to the Section Flavours and Fragrances)
Environmental Analysis and Removal of Emerging Pollutants
edited by , and
submission deadline 31 Jan 2027 | Viewed by 253 | Submission Open
Keywords: pharmaceutical pollutants; industrial additives pollutants; analytical approaches; adsorption and photocatalytic removal processes; redox-driven degradation; bioremediation mechanisms
(This special issue belongs to the Section Green Chemistry)
Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 3rd Edition submission deadline 31 Jan 2027 | Viewed by 240 | Submission Open
Keywords: bioactive compounds; natural plant products; antioxidant activity; extraction methods; polyphenols; flavonoids
(This special issue belongs to the Section Natural Products Chemistry)
Role of High Hydrophobicity in Engineering Biomedical Coating/Surfaces: From Design to Application submission deadline 31 Jan 2027 | Viewed by 231 | Submission Open
Keywords: superhydrophobic surfaces; surface chemistry; molecular design; polymer coatings; biointerface engineering; antibacterial and anti-biofouling; green synthesis; multifunctional materials
(This special issue belongs to the Section Materials Chemistry)
Advanced Chemical Analysis, Molecular Interactions and Remediation Strategies for Micro- and Nanoplastics
edited by Asli Baysal and
submission deadline 31 Jan 2027 | Viewed by 215 | Submission Open
Keywords: microplastics; nanoplastics; advanced chemical analysis; molecular interactions; polymer degradation; contaminant adsorption; remediation technologies; advanced oxidation processes; plastic additive leaching
Anti-Cancer and Anti-Inflammatory Activity of Natural Products
edited by
submission deadline 31 Jan 2027 | Viewed by 204 | Submission Open
Keywords: medicinal plant extracts; natural resources; phytochemicals in functional foods; marine natural products natural compounds and human health; analytical methods; novel perspectives on applications of phytochemicals in biomedicine; bioinformatics on bioactive compounds from natural products; structure–activity relationships; ai-driven data mining for research on natural products; biological activities an molecular target identification; natural products for treatment of rare diseases; natural products for mitigating the effects of tobacco smoke; natural products for mitigating the effects of air pollution; natural products for the treatment of cancer; natural products for respiratory diseases; natural products for infectious diseases; natural products against aging; ethnopharmacology; technology transfer of natural products
(This special issue belongs to the Section Natural Products Chemistry)
Exclusive Feature Papers in Analytical Chemistry, 2nd Edition submission deadline 31 Jan 2027 | Viewed by 195 | Submission Open
Keywords: analytical chemistry; instrumentation; environment and food; pharmaceutical industry; green chemistry
(This special issue belongs to the Section Analytical Chemistry)
The Future of Anti-Cancer Agents Driven by High-Throughput Technologies, Computational Chemistry and Artificial Intelligence submission deadline 31 Jan 2027 | Viewed by 175 | Submission Open
Keywords: anti-cancer agents; medicinal chemistry; synthesis and SAR optimization; mechanism of action; oncogenic signaling pathways; chemoresistance; in silico modeling; targeted drug delivery
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Catalysts for Environmental Pollutant Degradation and Remediation
edited by
submission deadline 31 Jan 2027 | Viewed by 173 | Submission Open
Keywords: environmental pollutants; catalytic degradation; environmental remediation; catalytic materials; photocatalysis; advanced oxidation processes
(This special issue belongs to the Section Green Chemistry)
Phytochemistry, Biological Activities and Nanomaterial Applications of Medicinal and Aromatic Plants submission deadline 31 Jan 2027 | Viewed by 172 | Submission Open
Keywords: medicinal and aromatic plants; phytochemicals; bioactive natural products; biological activities; antioxidant and antimicrobial activity; green synthesis of nanoparticles; plant-mediated nanoparticles; metal and metal oxide nanoparticles; nanotechnology in biomedicine
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Micro/Nanomaterials for Catalysis
edited by Juzhe Liu
submission deadline 31 Jan 2027 | Viewed by 166 | Submission Open
Keywords: micro/nanomaterials; catalysis; diverse applications; enhanced performance; advances
(This special issue belongs to the Section Materials Chemistry)
Terpene and Phenol-Rich Natural Products: Extraction, Characterization and Biological Evaluation
edited by Sanja Matić and
submission deadline 31 Jan 2027 | Viewed by 160 | Submission Open
Keywords: terpenes; phenolic compounds; natural products; extraction techniques; structural characterization; biological activity; structure–activity relationships
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Analytical Approaches and Chemical Profiling of Essential Oils: From Composition to Bioactivity
edited by
submission deadline 31 Jan 2027 | Viewed by 155 | Submission Open
Keywords: essential oils; novel analytical approaches; metabolomics; chemometrics; chemical profiling; bioactivity; volatile terpenes; phenylpropanoids
(This special issue belongs to the Section Natural Products Chemistry)
Carbon-Based Nanomaterials and Their Applications
edited by Naveen Kumar Reddy Bogireddy, Juan Horacio Pacheco-Sánchez and Claudia Muro
submission deadline 31 Jan 2027 | Viewed by 149 | Submission Open
Keywords: carbon nanomaterials; graphene; carbon nanotubes; fullerenes; graphyne; diamond-like carbon; carbon dots; molecular dynamics; density functional theory; Monte Carlo simulation; multiscale modeling; catalysis; photocatalysis; adsorption; CO2 capture; hydrogen storage; energy storage; supercapacitors; wastewater treatment; environmental remediation; sustainable materials; nanocomposites; gas separation; porous carbon materials; green synthesis
(This special issue belongs to the Section Materials Chemistry)
Phenolic Compounds from Foods: Extraction, Characterization, and Biological Activity submission deadline 31 Jan 2027 | Viewed by 142 | Submission Open
Keywords: phenolic compounds; food extracts; extraction techniques; chemical characterization; biological activity; antioxidant properties
(This special issue belongs to the Section Food Chemistry)
Chemical Characterisation and Biological Evaluation of Bioactive Extracts and Functional Ingredients from Agro-Food By-Products
edited by Anca Becze
submission deadline 31 Jan 2027 | Viewed by 137 | Submission Open
Keywords: agro-food by-products; compositional profiling; bioactive compounds; extraction and valorisation; functional food ingredients; antioxidant and antimicrobial activity
(This special issue belongs to the Section Food Chemistry)
Natural Products Chemistry in the Americas
edited by Margarete Zanardo Gomes, and
submission deadline 31 Jan 2027 | Viewed by 131 | Submission Open
Keywords: natural products chemistry; bioactive compounds; extraction techniques; biological applications; biodiversity in the Americas; sustainable bioprospecting; pharmaceutical potential
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Phenolic Compounds: Isolation, Characterization, and Bioapplications
edited by Didem Deliorman Orhan and
submission deadline 31 Jan 2027 | Viewed by 126 | Submission Open
Keywords: phenolic compounds; polyphenols; natural products; bioactive compounds; green extraction; functional foods; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Essential Oils: Chemical Characterization, Bioactivity and Innovative Applications
edited by and Florin Imbrea
submission deadline 31 Jan 2027 | Viewed by 121 | Submission Open
Keywords: essential oils; phytochemistry; green extraction technologies; bioactivity; antimicrobial activity; antibiofilm activity; antimicrobial resistance; antioxidant activity; nanoencapsulation; molecular docking; therapeutic potential; alternative medicine; functional foods; food preservation; biopesticides; sustainable agriculture; natural bioactive compounds; novel delivery systems
(This special issue belongs to the Section Natural Products Chemistry)
Aromatic Heterocyclic Compounds: From Synthesis to Biological Activities Research submission deadline 31 Jan 2027 | Viewed by 120 | Submission Open
Keywords: aromatic heterocycles; organic synthesis; medicinal chemistry; bioactive scaffolds; SAR; synthetic methodologies
(This special issue belongs to the Section Organic Chemistry)
Research Progress on Functional Lipids and Their Applications in Health Food Systems—2nd Edition
edited by
submission deadline 31 Jan 2027 | Viewed by 120 | Submission Open
Keywords: lipid crystallization; lipid oxidation; enzymatic lipid modification; processing; health benefits; structured emulsions; lipid emulsions; lipid capsules
(This special issue belongs to the Section Food Chemistry)
New Insights into Maillard Reaction
edited by Junjian Miao and
submission deadline 31 Jan 2027 | Viewed by 109 | Submission Open
Keywords: Maillard reaction; advanced glycation end-products (AGEs); food chemistry; flavor formation; non-enzymatic browning; acrylamide mitigation; reaction kinetics; nutritional impact; bioactive compounds; food processing
(This special issue belongs to the Section Flavours and Fragrances)
Emerging Natural Antioxidants for Food Storage and Functional Food Innovation submission deadline 31 Jan 2027 | Viewed by 100 | Submission Open
Keywords: natural antioxidants; food storage; functional food; food safety; shelf life
(This special issue belongs to the Section Food Chemistry)
Advanced Metal-Based Drug Formulations in Cancer Treatment
edited by Sanja A. Mijatović and
submission deadline 31 Jan 2027 | Viewed by 99 | Submission Open
Keywords: metal-based drugs; chemotherapy; cancer; tumor microenvironment; hybrid molecules; drug design; anticancer activity; drug delivery; tumor resistance
(This special issue belongs to the Section Medicinal Chemistry)
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