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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 polices 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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Metal Complexes as Potential Therapeutic Agents
edited by
submission deadline 30 Nov 2024 | Viewed by 45 | Submission Open
Keywords: metal-based drugs; anticancer metal complexes; antimicrobial metal complexes; diagnostic metal complexes; bioinorganic chemistry; coordination chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Inorganic/Organic Catalysts: Moving towards an Efficient, Green, and Sustainable Future
edited by and Huazhang Guo
submission deadline 30 Nov 2024 | Viewed by 43 | Submission Open
Keywords: inorganic nanomaterials; organic nanomaterials; property regulation; photocatalytic; electrocatalysis
(This special issue belongs to the Section Nanochemistry)
Molecular Modeling: Advancements and Applications, 3rd Edition
edited by
submission deadline 30 Nov 2024 | Viewed by 41 | Submission Open
Keywords: quantum mechanics; molecular mechanics (MM); molecular dynamics (MD); semi-empirical calculations; Ab initio methods; post-Hartree– Fock methods; density functional theory (DFT); software development; achieving chemical accuracy; thermochemistry and reactivity; interaction energy; covalent bonding and non-covalent interactions; large molecular systems; IR; Raman; and NMR; drug design; nanomaterials and nanotechnology; material sciences
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Energy Storage Materials: Synthesis and Application
edited by Yuanyuan Ma
submission deadline 30 Nov 2024 | Viewed by 40 | Submission Open
Keywords: energy storage; inorganic material; organic material; sol– gel method; hydrothermal; coprecipitation method; lithium-ion battery; lithium– sulfur battery; air battery; supercapacitor; aqueous battery
(This special issue belongs to the Section Applied Chemistry)
Extraction, Separation and Identification of Compounds from Natural Sources—Second Edition
edited by
submission deadline 30 Nov 2024 | Viewed by 37 | Submission Open
Keywords: natural sources; marine organisms; medicinal plants; essential oils; LC– MS (liquid chromatography coupled with mass spectrometry); GC– MS (gas chromatography coupled with mass spectrometry); structural elucidation; NMR (nuclear magnetic resonance); molecular docking
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Chemical Sensing Materials: From Design to Application
edited by Xiong Liu and
submission deadline 30 Nov 2024 | Viewed by 31 | Submission Open
Keywords: sensors; material design; environmental monitoring; medical diagnostics; health monitoring
(This special issue belongs to the Section Materials Chemistry)
Flavonoids and Derivatives: One Health Approach submission deadline 30 Nov 2024 | Viewed by 30 | Submission Open
Keywords: flavonoids; bioactive; health; nutraceutical; botanical; feed; microorganism
(This special issue belongs to the Section Natural Products Chemistry)
Novel Synthetic Macrocycles: Synthesis, Structures, Properties and Applications
edited by
submission deadline 30 Nov 2024 | Viewed by 29 | Submission Open
Keywords: macrocycles; supramolecular chemistry; host– guest chemistry; synthesis; applications
(This special issue belongs to the Section Macromolecular Chemistry)
Synthesis and Application of Chiral Materials
edited by
submission deadline 30 Nov 2024 | Viewed by 15 | Submission Open
Keywords: chiral materials; synthesis; applications; asymmetry; advanced materials
(This special issue belongs to the Section Materials Chemistry)
Advances in Targeted Delivery of Nanomedicines submission deadline 30 Nov 2024 | Viewed by 3 | Submission Open
Keywords: nanomedicines; drug delivery; target delivery; nanoscience; cancer signalling
(This special issue belongs to the Section Medicinal Chemistry)
Drug Design and Development for Dementia, Epilepsy, and Other Neurological Disorder Diseases
edited by Junke Song, and Yangyang He
submission deadline 15 Dec 2024 | 2 articles | Viewed by 2008 | Submission Open
Keywords: neurological disorders diseases; dementia; epilepsy; neurodegenerative diseases; target identification and validation; biological screening; preclinical studies; mechanistic insights
(This special issue belongs to the Section Medicinal Chemistry)
Natural Products Chemistry: Advances in Synthetic, Analytical and Bioactivity Studies, Volume II
edited by
submission deadline 15 Dec 2024 | 1 articles | Viewed by 605 | Submission Open
Keywords: natural compounds; semisynthetic compounds; organic synthesis; analytical chemistry; flavonoids; alkaloids; drug design; stereochemistry
(This special issue belongs to the Section Organic Chemistry)
Nuclear Magnetic Resonance Spectroscopy and Mass Spectrometry Techniques in the Discovery of Cancer Biomarkers submission deadline 15 Dec 2024 | Viewed by 63 | Submission Open
Keywords: biomarkers; cancers; diagnostics; mass spectrometry; metabolites; nuclear magnetic resonance; proteins; spectroscopy
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in Chromatography for Bioanalytical Applications submission deadline 15 Dec 2024 | Viewed by 59 | Submission Open
Keywords: chromatography; mass spectrometry; sample preparation; automated techniques; green analytical chemistry; bioanalysis; toxicology; doping control; food chemistry
(This special issue belongs to the Section Analytical Chemistry)
Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications, 2nd Edition submission deadline 15 Dec 2024 | Submission Open
Keywords: graphene; graphite; HOPG; intercalation; surface analysis; energy; sensors; DFT; molecular dynamics; electrodes; electrochemistry; solar cell; photocatalytic water splitting; batteries; hydrogen storage; fuel cells; QCM; biosensors; gas sensors; liquid sensors
(This special issue belongs to the Section Applied Chemistry)
Computational Strategy for Drug Design
edited by
submission deadline 31 Dec 2024 | 23 articles | Viewed by 50294 | Submission Open
Keywords: computational biology; bioinformatics; drug development; computation-aided drug discovery; target identification; rational drug design; lead optimization
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Polymeric Systems Loaded with Natural Bioactive Compounds submission deadline 31 Dec 2024 | 9 articles | Viewed by 29129 | Submission Open
Keywords: polymer– natural drug systems; polyphenols; polymer– drug conjugates; biomaterials; drug delivery; natural bioactive compounds; active targeting; omega 3 fatty acids; carotenoids; vitamins
(This special issue belongs to the Section Materials Chemistry)
Essential Oils: From Extraction to Application submission deadline 31 Dec 2024 | 10 articles | Viewed by 27901 | Submission Open
Keywords: essential oils; volatile constituents; chemical characterization; chemotypes; herbal preparations; gas chromatography; biological activity; mode of action
(This special issue belongs to the Section Natural Products Chemistry)
Exclusive Feature Papers in Inorganic Chemistry 2.0 submission deadline 31 Dec 2024 | 26 articles | Viewed by 27769 | Submission Open
(This special issue belongs to the Section Inorganic Chemistry)
Food Chemistry in Europe submission deadline 31 Dec 2024 | 7 articles | Viewed by 20298 | Submission Open
Keywords: food chemistry; food process; food additives; food analysis; food safety; metabolomics; data analytics
(This special issue belongs to the Section Food Chemistry)
Exclusive Feature Papers in Macromolecular Chemistry
edited by
submission deadline 31 Dec 2024 | 10 articles | Viewed by 16573 | Submission Open
(This special issue belongs to the Section Macromolecular Chemistry)
Advances in Density Functional Theory (DFT) Calculation submission deadline 31 Dec 2024 | 10 articles | Viewed by 15093 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic proprieties; kinetics and catalysis; QTAIM
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Nanostructured Materials: Synthesis, Functionalization and Applications in Biomedicine
edited by and
submission deadline 31 Dec 2024 | 9 articles | Viewed by 14263 | Submission Open
Keywords: nanostructured materials; biomaterials; dental materials; biomedicine; biomedical applications; drug delivery; bone defect repair; orthopedic surgery; skin wound healing; anti-tumor; biosensing; bioimaging; diagnosis; therapy
(This special issue belongs to the Section Nanochemistry)
Exclusive Feature Papers in Electrochemistry
edited by and
submission deadline 31 Dec 2024 | 10 articles | Viewed by 13498 | Submission Open
Keywords: electrochemical science; energy conversion; electrocatalysis; electrooxidation and electroreduction; (Bio)sensors; corrosion science; environmental applications; new materials; green electrochemistry
(This special issue belongs to the Section Electrochemistry)
Essential Oils in Human Health submission deadline 31 Dec 2024 | 7 articles | Viewed by 10029 | Submission Open
Keywords: essential oils; extraction; characterization; composition; biological properties; beneficial effects; bioavailability; human health; antioxidant; chronic disease; functional foods
(This special issue belongs to the Section Chemical Biology)
Chemical Composition and Bioactivities of Essential Oils, 2nd Edition submission deadline 31 Dec 2024 | 7 articles | Viewed by 9952 | Submission Open
Keywords: bioactive natural compounds; essential oils; chemical characterization; the essential oil mechanism of action; the biological activities in vitro and in vivo; antitumor; antimicrobials; antioxidant; EOs delivery strategies
(This special issue belongs to the Section Natural Products Chemistry)
Natural Polyphenols in Human Health (Volume II) submission deadline 31 Dec 2024 | 4 articles | Viewed by 8907 | Submission Open
Keywords: polyphenols; characterization; biological properties; beneficial effects; bioavailability; human health; antioxidant; chronic disease; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Exploiting Ionic Liquids for Biocatalytic and Pharmaceutical Application submission deadline 31 Dec 2024 | 4 articles | Viewed by 8809 | Submission Open
Keywords: ionic liquids; nanomaterials; emulsions; biological activity; biocatalysis; active pharmaceutical ingredients; drug delivery; mechanism of action; toxicity; pharmaceuticals; enzymes
(This special issue belongs to the Section Molecular Liquids)
π-Conjugated Functional Molecules & Polymers submission deadline 31 Dec 2024 | 7 articles | Viewed by 8532 | Submission Open
Keywords: π -conjugated functional materials; conjugated porous polymers; covalent organic framework; metal– organic framework; synthetic methodology; aggregation-induced organic emissions; nonlinear optics; light-emitting diodes; organic field effect transistors; organic photovoltaic cells; photocatalysis
(This special issue belongs to the Section Materials Chemistry)
Bioactive Natural Products for Prevention and Treatment of Cancer, Cardiovascular and Neurodegenerative Diseases, and Aging submission deadline 31 Dec 2024 | 5 articles | Viewed by 8113 | Submission Open
Keywords: bioactive compounds; natural compounds; food; diet; medicinal plants; anticancer; anti-aging; cardiovascular diseases
(This special issue belongs to the Section Natural Products Chemistry)
Metal-Based Nanoparticles Synthesis and Antimicrobial Applications
edited by
submission deadline 31 Dec 2024 | 4 articles | Viewed by 8086 | Submission Open
Keywords: metals; nanoclusters; organic synthesis; green synthesis
(This special issue belongs to the Section Inorganic Chemistry)
Chromatographic Methods for Monitoring Food Safety and Quality submission deadline 31 Dec 2024 | 6 articles | Viewed by 7870 | Submission Open
Keywords: antibiotics; bioactive compounds; chromatography; contaminants; food chemistry; food authentication; food safety; food quality; food safety; method validation; microplastics; pesticides; veterinary drugs
(This special issue belongs to the Section Analytical Chemistry)
Advanced Materials for Energy Conversion and Water Sustainability
edited by and
submission deadline 31 Dec 2024 | 7 articles | Viewed by 7725 | Submission Open
Keywords: advanced material innovation; energy conversion; desalination; wastewater treatment; pollutant degradation; sustainable clean water harvesting
(This special issue belongs to the Section Applied Chemistry)
Exclusive Feature Papers in Physical Chemistry, 2nd Edition
edited by
submission deadline 31 Dec 2024 | 11 articles | Viewed by 7549 | Submission Open
Keywords: catalysis; energy electrochemistry; kinetic; interface chemistry; biophysical chemistry
(This special issue belongs to the Section Physical Chemistry)
Tea Processing and Flavor Research submission deadline 31 Dec 2024 | 3 articles | Viewed by 7231 | Submission Open
Keywords: processing theory and technology; six types of tea; flavor chemistry; flavor analysis; aroma and flavor perception
(This special issue belongs to the Section Flavours and Fragrances)
Nanomaterials for Energy Storage and Conversion
edited by and Xianguang Meng
submission deadline 31 Dec 2024 | 6 articles | Viewed by 6906 | Submission Open
Keywords: photocatalysis; electricatalysis; thermocatalysis; photovoltaics applications; Li/Na/K ion battery; fuel cell; metal-air battery
(This special issue belongs to the Section Materials Chemistry)
Environmental Analysis of Organic Pollutants, 2nd Edition
edited by and
submission deadline 31 Dec 2024 | 5 articles | Viewed by 6809 | Submission Open
Keywords: organic pollutants; POPs; emerging contaminants; sediment contaminants; soil contaminants; water pollutants; air pollution; industrial emission
(This special issue belongs to the Section Green Chemistry)
Small-Molecule Inhibitors: Synthesis, Cytotoxicity and Biological Activities
edited by
submission deadline 31 Dec 2024 | 5 articles | Viewed by 6679 | Submission Open
(This special issue belongs to the Section Medicinal Chemistry)
Organic Synthesis and Application of Bioactive Molecules
edited by
submission deadline 31 Dec 2024 | 7 articles | Viewed by 6486 | Submission Open
Keywords: bioactive molecules; total synthesis; semi-synthesis; privileged scaffold; hybridization; dimerization; scaffold morphing; scaffold decoration
(This special issue belongs to the Section Organic Chemistry)
Advances of Ionic Liquids in Organic, Polymer and Material Chemistry: Key Trends in Green Chemistry submission deadline 31 Dec 2024 | 7 articles | Viewed by 6292 | Submission Open
Keywords: ionic liquids; green solvents; catalysts; polymer synthesis; advanced materials; electrochemical devices; separation process; nano-materials; biomolecules
(This special issue belongs to the Section Green Chemistry)
Gemini Surfactants for Medical and Non-medical Applications
edited by
submission deadline 31 Dec 2024 | 3 articles | Viewed by 4505 | Submission Open
Keywords: gemini surfactants; antimicrobials; corrosion inhibitors; biocorrosion; bio-application; drug delivery; gene therapy; biomaterial surface modification
(This special issue belongs to the Section Macromolecular Chemistry)
Nucleoside and Nucleotide Analogues: Chemical Synthesis and Applications
edited by Satu Mikkola, Pasi Virta and
submission deadline 31 Dec 2024 | 5 articles | Viewed by 4109 | Submission Open
Keywords: nucleoside analogues; nucleic acids; interactions; detection; synthesis; reaction mechanism
(This special issue belongs to the Section Chemical Biology)
Featured Reviews in Nanochemistry
edited by
submission deadline 31 Dec 2024 | 2 articles | Viewed by 3272 | Submission Open
Keywords: nanochemistry; nanomaterials; nanoparticles; nanomedicine; nanoanalysis
(This special issue belongs to the Section Nanochemistry)
Probing Pharmacological and Biological Performance of Synthetic and Natural Compounds—2nd Edition
edited by
submission deadline 31 Dec 2024 | 3 articles | Viewed by 3159 | Submission Open
Keywords: natural and synthetic compounds; aging; cancer; cardiovascular diseases; metabolic syndromes; inflammation; oxidative stress; regulated cell death
(This special issue belongs to the Section Natural Products Chemistry)
Modern Trends of Biocatalysis in Organic Chemistry and Enzyme Engineering–2nd Edition
edited by and
submission deadline 31 Dec 2024 | 4 articles | Viewed by 3123 | Submission Open
Keywords: enzyme engineering; biocatalytic promiscuity; enzyme immobilization; directed evolution; biocatalysis; enzymatic reactions
(This special issue belongs to the Section Bioorganic Chemistry)
Phytochemistry and Biological Activity Perspectives of Medicinal Plants submission deadline 31 Dec 2024 | 3 articles | Viewed by 3076 | Submission Open
Keywords: medicinal plants; natural products; bioactive compounds; extraction; eco-extraction; isolation; bioguided isolation; characterization; synthesis; biological properties; bioavailability; toxicity; industrial application
(This special issue belongs to the Section Natural Products Chemistry)
Heterocyclic Compounds for Drug Design and Drug Discovery
edited by Susana M. M. Lopes and
submission deadline 31 Dec 2024 | 2 articles | Viewed by 2930 | Submission Open
Keywords: heterocycles; medicinal chemistry; drug design; drug discovery; biological activity; natural compounds; synthetic products
(This special issue belongs to the Section Organic Chemistry)
Biomanufacturing of Natural Bioactive Compounds
edited by Honglei Liu
submission deadline 31 Dec 2024 | 3 articles | Viewed by 2832 | Submission Open
Keywords: bioactive compounds; natural products; biosynthesis; derivation; cell factory
(This special issue belongs to the Section Natural Products Chemistry)
Stimuli-Responsive Crystals Materials and Polymers submission deadline 31 Dec 2024 | 2 articles | Viewed by 2495 | Submission Open
Keywords: stimuli-responsive materials; inorganic-organic hybrid materials; fluorescence; metal organic frameworks; hybrid metal halides; structure– property relationship; sensor
(This special issue belongs to the Section Materials Chemistry)
Molecular Approaches to Drug Discovery and Development
edited by
submission deadline 31 Dec 2024 | 2 articles | Viewed by 2450 | Submission Open
Keywords: molecular approaches; molecular mechanisms; molecular rearrangements; liquid- and solid-phase synthesis; organic molecules; peptides; drugs; chemical modifications; organic synthesis; nano-drugs; synthetic drug delivery systems; targeting
(This special issue belongs to the Section Medicinal Chemistry)
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