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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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Chromatography for Bio (Analytical) Applications submission deadline 25 Jan 2027 | Viewed by 180 | Submission Open
Keywords: sample preparation; liquid chromatography; gas chromatography; separation techniques; mass spectrometry; forensic and toxicological analysis; environmental and wastewater analysis; food analysis; biological samples; pharmaceuticals; natural products; omics; drug delivery systems; microorganism-related analysis; chiral separation
(This special issue belongs to the Section Analytical Chemistry)
Quantum Chemistry in Modern Science: Chemical Bonding, Spectroscopy, and Beyond
edited by Isuru R. Ariyarathna
submission deadline 31 Jan 2027 | 3 articles | Viewed by 3863 | Submission Open
Keywords: quantum chemistry; ab initio multireference methods; coupled-cluster; density functional theory; spectroscopy; chemical bonding; transition metals; lanthanides; actinides
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Corrosion Mechanisms and Protection Technologies of Metallic Materials Under Harsh Environments
edited by Baojun Dong, , Dezhi Zeng and
submission deadline 31 Jan 2027 | 2 articles | Viewed by 2268 | Submission Open
Keywords: metal coating; non-metal coating; coating design and preparation; coating performance evaluation; corrosion mechanism in harsh environments
(This special issue belongs to the Section Materials Chemistry)
Ligand-Based Design and Optimization of Antibacterial Agents: From Structure to Activity submission deadline 31 Jan 2027 | 2 articles | Viewed by 2056 | Submission Open
Keywords: ligand-based drug design (LBDD); antibacterial agents; quantitative structure– activity relationship (QSAR); pharmacophore modeling; virtual screening; cheminformatics; molecular optimization
(This special issue belongs to the Section Medicinal Chemistry)
Nutritional Enhancement and Functional Innovation of Plant-Based Foods submission deadline 31 Jan 2027 | 1 articles | Viewed by 1262 | 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)
Green Valorization of Food By‑Products: Bioactive Molecules and Food‑Grade Delivery Systems submission deadline 31 Jan 2027 | Viewed by 237 | 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)
Green Chemistry Approaches to Analysis and Environmental Remediation—2nd Edition
edited by
submission deadline 31 Jan 2027 | Viewed by 187 | Submission Open
Keywords: chromatography; mass spectrometry; extraction; green analytical chemistry; emerging contaminants
(This special issue belongs to the Section Analytical Chemistry)
Role of High Hydrophobicity in Engineering Biomedical Coating/Surfaces: From Design to Application submission deadline 31 Jan 2027 | Viewed by 181 | 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)
Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application—2nd Edition submission deadline 31 Jan 2027 | Viewed by 180 | 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)
Anti-Cancer and Anti-Inflammatory Activity of Natural Products
edited by
submission deadline 31 Jan 2027 | Viewed by 165 | 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)
Advanced Chemical Analysis, Molecular Interactions and Remediation Strategies for Micro- and Nanoplastics
edited by Asli Baysal and
submission deadline 31 Jan 2027 | Viewed by 148 | Submission Open
Keywords: microplastics; nanoplastics; advanced chemical analysis; molecular interactions; polymer degradation; contaminant adsorption; remediation technologies; advanced oxidation processes; plastic additive leaching
Exclusive Feature Papers in Analytical Chemistry, 2nd Edition submission deadline 31 Jan 2027 | Viewed by 139 | Submission Open
Keywords: analytical chemistry; instrumentation; environment and food; pharmaceutical industry; green chemistry
(This special issue belongs to the Section Analytical Chemistry)
Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 3rd Edition submission deadline 31 Jan 2027 | Viewed by 133 | Submission Open
Keywords: bioactive compounds; natural plant products; antioxidant activity; extraction methods; polyphenols; flavonoids
(This special issue belongs to the Section Natural Products Chemistry)
Production of Artemisia and Its Pharmacology vs. Artemisinin
edited by and Yuliang Wang
submission deadline 31 Jan 2027 | Viewed by 123 | 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)
Advances in Micro/Nanomaterials for Catalysis
edited by Juzhe Liu
submission deadline 31 Jan 2027 | Viewed by 122 | Submission Open
Keywords: micro/nanomaterials; catalysis; diverse applications; enhanced performance; advances
(This special issue belongs to the Section Materials Chemistry)
Phytochemistry, Biological Activities and Nanomaterial Applications of Medicinal and Aromatic Plants submission deadline 31 Jan 2027 | Viewed by 119 | 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)
Advanced Catalysts for Environmental Pollutant Degradation and Remediation
edited by
submission deadline 31 Jan 2027 | Viewed by 108 | Submission Open
Keywords: environmental pollutants; catalytic degradation; environmental remediation; catalytic materials; photocatalysis; advanced oxidation processes
(This special issue belongs to the Section Green Chemistry)
Terpene and Phenol-Rich Natural Products: Extraction, Characterization and Biological Evaluation
edited by Sanja Matić and
submission deadline 31 Jan 2027 | Viewed by 94 | 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)
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 91 | 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)
New Insights into Maillard Reaction
edited by Junjian Miao and
submission deadline 31 Jan 2027 | Viewed by 87 | 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)
Aromatic Heterocyclic Compounds: From Synthesis to Biological Activities Research submission deadline 31 Jan 2027 | Viewed by 82 | Submission Open
Keywords: aromatic heterocycles; organic synthesis; medicinal chemistry; bioactive scaffolds; SAR; synthetic methodologies
(This special issue belongs to the Section Organic Chemistry)
Phenolic Compounds from Foods: Extraction, Characterization, and Biological Activity submission deadline 31 Jan 2027 | Viewed by 77 | Submission Open
Keywords: phenolic compounds; food extracts; extraction techniques; chemical characterization; biological activity; antioxidant properties
(This special issue belongs to the Section Food 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 72 | 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)
Advanced Analytical Approaches and Chemical Profiling of Essential Oils: From Composition to Bioactivity
edited by
submission deadline 31 Jan 2027 | Viewed by 68 | 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)
Design and Applications of Phase Change Materials for Energy Storage and Conversion
edited by and Yinsheng Yu
submission deadline 31 Jan 2027 | Viewed by 68 | 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)
Advances in Phenolic Compounds: Isolation, Characterization, and Bioapplications
edited by Didem Deliorman Orhan and
submission deadline 31 Jan 2027 | Viewed by 65 | 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)
Research Progress on Functional Lipids and Their Applications in Health Food Systems—2nd Edition
edited by
submission deadline 31 Jan 2027 | Viewed by 64 | 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)
Advanced Metal-Based Drug Formulations in Cancer Treatment
edited by Sanja A. Mijatović
submission deadline 31 Jan 2027 | Viewed by 59 | 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)
Biochar in Environmental Chemistry: Mechanisms, Reactivity, and Applications submission deadline 31 Jan 2027 | Viewed by 42 | Submission Open
Keywords: biochar; environmental chemistry; sorption mechanisms; reactivity; pollutant transformation; advanced oxidation processes; carbon sequestration; soil remediation; water treatment
(This special issue belongs to the Section Green Chemistry)
Research Advances in Rotational Spectroscopy: From Structures to Large Amplitude Motions of Molecules
edited by
submission deadline 31 Jan 2027 | Viewed by 40 | Submission Open
Keywords: rotational spectroscopy; microwave spectroscopy; large amplitude motion; structure determination; non-covalent interaction; nuclear quadrupole coupling
(This special issue belongs to the Section Molecular Structure)
Natural Products: Isolation, Analysis and Biological Activity, 3rd Edition submission deadline 31 Jan 2027 | Viewed by 40 | 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)
Bioactive Compounds in Terrestrial and Aquatic Plants: Emerging Therapeutic Applications in Human Health and Disease Management submission deadline 31 Jan 2027 | Viewed by 27 | Submission Open
Keywords: plant-derived bioactive compounds; natural product-derived therapeutics; phytochemicals and biological activity; marine algae bioactive compounds; plant primary and secondary metabolites; extraction and isolation techniques; antioxidant activity; anti-inflammatory properties; immunomodulatory effects; plant therapeutic potential; biomedical applications of plant extracts; cosmeceuticals and nutraceuticals from natural sources
(This special issue belongs to the Section Natural Products Chemistry)
Biopolymers for Drug Delivery Systems, 2nd Edition
edited by and Petra Arany
submission deadline 31 Jan 2027 | Viewed by 14 | Submission Open
Keywords: drug delivery systems; biopolymers; personalized medication; nanoparticle; hydrogel; 3D printing
(This special issue belongs to the Section Medicinal Chemistry)
Natural Products Chemistry in the Americas
edited by Margarete Zanardo Gomes, and
submission deadline 31 Jan 2027 | Viewed by 12 | 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)
Research on 1,8-Naphthalimide Scaffold: Present and Future
edited by
submission deadline 31 Jan 2027 | Viewed by 9 | Submission Open
Keywords: 1; 8-naphthalimide; derivative of 1; 8-naphthalimide; synthesis of 1; 8-naphthalimide; spectroscopic properties of 1; 8-naphthalimide; fluorescent sensors; biosensors; sensing mechanisms; photophysical properties; crystal structures; computation; fluorescent dyes; cell imaging; textile dyes; OLEDs; electroluminescent materials; liquid crystal displays; ligand; intercalators; biomedical applications (analgesics); anti-depressants; anti-tumor agents; antiprotozoals; antirheumatics; antimicrobials; antivirals; anti-inflammatory agents; enzyme inhibitors
(This special issue belongs to the Section Organic Chemistry)
Advanced Manufacturing and Interface Engineering for Perovskite Materials
edited by Chaoyu Xiang
submission deadline 31 Jan 2027 | Viewed by 7 | Submission Open
Keywords: metal halide perovskite; photovoltaics; LED; detectors and sensors
(This special issue belongs to the Section Materials Chemistry)
Photothermal Materials for Drug Delivery
edited by
submission deadline 4 Feb 2027 | Viewed by 19 | Submission Open
Keywords: photothermal materials; drug delivery; disease therapy
(This special issue belongs to the Section Materials Chemistry)
Natural Compounds for Disease and Health, 4th Edition submission deadline 15 Feb 2027 | 1 articles | Viewed by 608 | Submission Open
Keywords: natural products; phytochemistry; structure– activity relationship; mechanisms of action; anti-aging; cancer; cardiovascular diseases; digestive diseases; endocrine disorders; immune diseases; infections; inflammation; liver diseases; metabolic diseases; musculoskeletal diseases; neurodegenerative diseases; pain; psychiatric diseases; renal diseases; respiratory diseases
(This special issue belongs to the Section Natural Products Chemistry)
Recent Trends in Pharmaceutical Analysis for Drug Development, Therapeutic Monitoring and Biomarker Discovery submission deadline 15 Feb 2027 | Viewed by 395 | Submission Open
Keywords: pharmaceutical analysis; bioanalysis; drug development; therapeutic monitoring; biomarker discovery; omics; toxicological analysis
(This special issue belongs to the Section Medicinal Chemistry)
Enzyme Inhibitors: Structural Characterization and Applications submission deadline 15 Feb 2027 | Viewed by 59 | Submission Open
Keywords: enzyme inhibitors; DFT; molecular docking; molecular dynamics; structure– activity relationship
(This special issue belongs to the Section Medicinal Chemistry)
Natural Bioactives and Functional Ingredients in Foods
edited by
submission deadline 16 Feb 2027 | 5 articles | Viewed by 2822 | Submission Open
Keywords: natural bioactive compounds; functional food ingredients; health-promoting foods; nutraceuticals; food innovation
(This special issue belongs to the Section Food Chemistry)
Photoelectrochemical Properties of Nanostructured Thin Films
edited by , Zheng Xie and Xiaofeng Zhao
submission deadline 27 Feb 2027 | 3 articles | Viewed by 2916 | Submission Open
Keywords: photoelectrochemical water splitting; CO2 reduction; photocatalysis; surface engineering; co-catalyst integration; sustainable energy conversion; thin-film heterojunctions; advanced functional nanomaterials
(This special issue belongs to the Section Photochemistry)
Organic Luminescent Materials: Synthesis, Mechanism, and Applications
edited by Xiaonan Ma and Jianyu Zhang
submission deadline 28 Feb 2027 | 1 articles | Viewed by 740 | Submission Open
Keywords: organic luminescent materials; molecular design; chemical synthesis; photophysics; excited-state dynamics; OLED displaying; bio-imaging; sensing
(This special issue belongs to the Section Materials Chemistry)
Bioactive Compounds in Olive Oil: Biosynthesis, Transformations, and Health Effects submission deadline 28 Feb 2027 | Viewed by 527 | Submission Open
Keywords: virgin olive oil; olive oil bioactives; volatile compounds and aroma profile; biosynthesis and transformation of olive oil bioactives; olive oil production and processing chain; oxidative stability and antioxidant activity; sensory quality attributes; bioavailability and health-related effects
(This special issue belongs to the Section Food Chemistry)
Advances in Target-Based Drug Design, Discovery and Screening
edited by Guang Huang
submission deadline 28 Feb 2027 | Viewed by 365 | Submission Open
Keywords: structure-based drug design; synthesis; target-based drug discovery; virtual screening; inhibitors; PROTACs; degraders; kinases; epigenetic targets
(This special issue belongs to the Section Medicinal Chemistry)
Therapeutic Potential of Bioactive Dietary Small Molecules and Natural Products: From Discovery to Mechanistic Understanding submission deadline 28 Feb 2027 | Viewed by 230 | Submission Open
Keywords: bioactive compounds; natural products; dietary small molecules; therapeutic agents; mechanism of action; nutraceuticals; functional foods; molecular targets; pharmacological activity; chronic diseases; anti-inflammatory; antioxidant; metabolic disorders; hormone-related diseases
(This special issue belongs to the Section Food Chemistry)
Molecular Conformational Diversity submission deadline 28 Feb 2027 | Viewed by 230 | Submission Open
Keywords: conformational diversity; conformational ensemble; conformational flexibility; conformational sampling; energy landscape; protein dynamics; structural heterogeneity; intrinsically disordered proteins; molecular recognition; ligand binding; protein– protein interactions
(This special issue belongs to the Section Chemical Biology)
Electroanalysis of Biochemistry and Material Chemistry—3rd Edition
edited by Guangjin Wang
submission deadline 28 Feb 2027 | Viewed by 111 | Submission Open
Keywords: voltammetry; potentiometry; conductometry; electrolytic method; electrochemical biosensors; fuel cells; batteries; supercapacitors
(This special issue belongs to the Section Electrochemistry)
Small Molecules for Gonadal Diseases
edited by
submission deadline 28 Feb 2027 | Viewed by 56 | Submission Open
Keywords: small molecules; gonadal diseases; polycystic ovary syndrome; testicular dysfunction; prostate diseases; oxidative stress; inflammation; reproductive biology
(This special issue belongs to the Section Medicinal Chemistry)
Interface-Engineered Nanomaterials for High-Performance Electrochemical Energy Conversion
edited by Pritam J. Morankar, Mrunal Bhosale and Sahil S. Magdum
submission deadline 28 Feb 2027 | Viewed by 21 | Submission Open
Keywords: interface engineering; electrochemical energy conversion; nanostructured electrocatalysts; catalytic water splitting; oxygen evolution reaction (OER); hydrogen evolution reaction (HER); heterostructured functional nanomaterials; advanced energy storage systems; sustainable hydrogen production
(This special issue belongs to the Section Nanochemistry)
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