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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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Advances in the Theoretical and Computational Chemistry submission deadline 30 Sep 2024 | 26 articles | Viewed by 56067 | Submission Open
Keywords: chemical reactivity; reaction mechanisms; potential energy surface exploration methods: ab-initio; monte-carlo; and meta molecular; dynamics; non-covalent interactions effects; solvent effects; electron transfer and redox processes; photochemical reactions; reaction forces analysis; reactivity prediction
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Synthetic Studies Aimed at Heterocyclic Organic Compounds
edited by
submission deadline 30 Sep 2024 | 7 articles | Viewed by 44069 | Submission Open
Keywords: heterocycles; synthesis; methods; medicinal; agricultural
(This special issue belongs to the Section Organic Chemistry)
Biologically Active Small Molecules Inspired by Plant Secondary Metabolites submission deadline 30 Sep 2024 | 11 articles | Viewed by 40319 | Submission Open
Keywords: Drug discovery; Secondary metabolites; Natural product scaffolds; Structure– activity relationships; Pharmacophore
(This special issue belongs to the Section Natural Products Chemistry)
Featured Review Papers in Food Chemistry
edited by and
submission deadline 30 Sep 2024 | 9 articles | Viewed by 24408 | Submission Open
Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security
(This special issue belongs to the Section Food Chemistry)
Food Polysaccharides: Structure, Properties and Application II submission deadline 30 Sep 2024 | 10 articles | Viewed by 23765 | Submission Open
Keywords: food polysaccharides; food gums; food additives; dietary fiber; structure; properties; functions; application; bioactivity
(This special issue belongs to the Section Applied Chemistry)
State of the Art of Natural Antioxidants: Extraction, Detection and Biofunctions submission deadline 30 Sep 2024 | 9 articles | Viewed by 20780 | Submission Open
Keywords: antioxidant; phytochemistry; bioactive molecules; biotechnology; biomolecules; analytical chemistry; food chemistry; phytomedicine
(This special issue belongs to the Section Analytical Chemistry)
The Role of Dietary Bioactive Compounds in Human Health
edited by and
submission deadline 30 Sep 2024 | 7 articles | Viewed by 19711 | Submission Open
Keywords: dietary bioactive compounds; chronic diseases; molecular mechanisms; oxidative stress; inflammation; signal pathways
(This special issue belongs to the Section Food Chemistry)
Synthesis, Characterization and Application of Polymer-Based Materials submission deadline 30 Sep 2024 | 12 articles | Viewed by 19600 | Submission Open
Keywords: synthetic; natural and sustainable polymer-based materials; polymer composites; polymer hybrids; multifunctional and smart polymer materials; structure-properties relationship in polymer systems; advanced characterization of polymer multiphase systems; polymer synthesis and reactive processing; polymer-based supports for bioactive molecules; applications of polymer-based materials; hydrophilic polymer systems
(This special issue belongs to the Section Materials Chemistry)
Development of Electrochemical Energy Storage Materials
edited by and
submission deadline 30 Sep 2024 | 5 articles | Viewed by 19419 | Submission Open
Keywords: energy storage materials; electrochemical device; Metal-air batteries; water splitting
(This special issue belongs to the Section Applied Chemistry)
New Functional Materials Based on Natural Polymers Obtained from Renewable Resources submission deadline 30 Sep 2024 | 8 articles | Viewed by 18790 | Submission Open
Keywords: biopolymers; polysaccharides; proteins; films; hydrogels; hybrid materials; 3D porous structures; biomaterials; biopolymer blends; composites
(This special issue belongs to the Section Materials Chemistry)
Advances in Chiral Analysis submission deadline 30 Sep 2024 | 9 articles | Viewed by 18565 | Submission Open
Keywords: chirality; HPLC; capillary electrophoresis; enantiomers; enantioseparation; chiral separation; chiral selectors; chiral stationary phases; chiral pesticides
(This special issue belongs to the Section Analytical Chemistry)
Feature Papers in Computational and Theoretical Chemistry submission deadline 30 Sep 2024 | 18 articles | Viewed by 17300 | Submission Open
Keywords: computational chemistry; theoretical chemistry; thermochemistry; quantum chemistry; photochemistry; computational drug design; computational materials science; computational biochemistry; interstellar chemistry; computational spectroscopy; molecular dynamics; modeling of climate chemistry; modeling of environmental chemistry
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Design, Synthesis and Structure-Activity Relationship of Biologically Active Inhibitors submission deadline 30 Sep 2024 | 9 articles | Viewed by 16461 | Submission Open
Keywords: biologically active inhibitors; anticancer; antimicrobial; metabolic disorders; enzyme inhibition; protein– protein interaction; protein expression
(This special issue belongs to the Section Medicinal Chemistry)
Naturally Inspired Molecules as Inhibitors in Drug Discovery submission deadline 30 Sep 2024 | 8 articles | Viewed by 15836 | Submission Open
Keywords: natural products; drug design; privileged structures; enzyme inhibition; bioactive compounds; bioinspired compounds; structure– activity relationship (SAR); biological activity; organic synthesis
(This special issue belongs to the Section Medicinal Chemistry)
Polymeric Liquid Crystals and Applications
edited by , Ana Catarina Trindade and
submission deadline 30 Sep 2024 | 7 articles | Viewed by 14586 | Submission Open
Keywords: phases; structures and ordering; self-assembly; colloids; instabilities; pattern formation and chaos; fibers; biological and bio-inspired liquid crystals; polymer-liquid crystal blends; conductive liquid crystals; switchable polymers; nanostructured systems; supramolecules; polymers; elastomers and gels; photosensitive liquid crystals; confined liquid crystals; molecular design; synthesis and new materials; sensors; actuators; O-LED and polymer LCD devices; conducting polymer liquid crystals; ferroelectrics; biopolymer liquid crystals; drug delivery; mathematical modelling; symmetry and topology; novel applications of liquid crystalline systems
(This special issue belongs to the Section Applied Chemistry)
Bioproducts for Health III submission deadline 30 Sep 2024 | 6 articles | Viewed by 13913 | Submission Open
Keywords: bioactive compounds; health applications; natural sources; purification; downstream processing; sustainability
(This special issue belongs to the Section Natural Products Chemistry)
New Insights into Nuclear Magnetic Resonance (NMR) Spectroscopy
edited by Ioannis P. Gerothanassis and
submission deadline 30 Sep 2024 | 9 articles | Viewed by 13497 | Submission Open
Keywords: NMR spectroscopy; NMR pulse sequences; hyperpolarized NMR; metabolomics; high-throughput methods; hyphenated techniques; quantum chemical calculations of NMR parameters for structure determination; nuclear magnetic shielding tensor; GIAO NMR; indirect spin-spin coupling constants; in-cell NMR
(This special issue belongs to the Section Analytical Chemistry)
New Nanomaterials for Diagnostic and Drug Delivery submission deadline 30 Sep 2024 | 7 articles | Viewed by 12709 | Submission Open
Keywords: nanomaterials; drug delivery; diagnostic; nano-formulations; 3D-printing
(This special issue belongs to the Section Applied Chemistry)
Advanced Analytical Tools for Characterization and Quality Control of Food, Drugs, and Natural Active Ingredients, 2nd Edition submission deadline 30 Sep 2024 | 11 articles | Viewed by 12057 | Submission Open
Keywords: authentication; classification; pharmaceutical drugs; food; quality control; natural products; geographical origin; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
New Approaches in the Extraction of Biomolecules from Plants–Molecular and Application Basics submission deadline 30 Sep 2024 | 6 articles | Viewed by 11584 | Submission Open
Keywords: plant secondary metabolites; biologically active compounds; design of experiments; natural deep eutectic solvents; ionic liquids; micro- and nano-solid phase extraction; accelerated solvent extraction; supercritical fluid extraction; single-drop extraction
(This special issue belongs to the Section Natural Products Chemistry)
Pharmacological and Biological Activities of Bioactive Compounds in Natural Products submission deadline 30 Sep 2024 | 3 articles | Viewed by 11384 | Submission Open
Keywords: natural bioactive compounds; microorganisms; plants; animals; natural-based products; pharmacological actions; cosmetics; food products; pharmaceual industry
(This special issue belongs to the Section Natural Products Chemistry)
Small Molecule Hybrids for Anticancer and Antiviral Therapy submission deadline 30 Sep 2024 | 6 articles | Viewed by 11126 | Submission Open
Keywords: hybrid compounds; bioconjugation; anticancer agents; small-molecule engineered hybrids; antiviral activity; drug development; chemical design and synthesis; biological activity; drug resistance
(This special issue belongs to the Section Medicinal Chemistry)
Biomolecules from Plant and Animal Wastes: From Processing to Application in Food and Medicine, 2nd Edition submission deadline 30 Sep 2024 | 3 articles | Viewed by 10154 | Submission Open
Keywords: plant waste; animal waste; biomolecules; extraction; analytical techniques; green synthesis; health; natural products; peptides and proteins; phytochemicals; in vitro experiments; in vivo experiments
(This special issue belongs to the Section Applied Chemistry)
Editorial Board Members’ Collection Series: Natural Products as Sources of New Approved Drugs submission deadline 30 Sep 2024 | 5 articles | Viewed by 10052 | Submission Open
Keywords: natural compounds; bioactive molecules; pharmacological properties; in vitro and in vivo test; clinical investigations; formulations development
(This special issue belongs to the Section Natural Products Chemistry)
Chitosan, Chitosan Derivatives, Polysaccharides and Their Applications—2nd Edition submission deadline 30 Sep 2024 | 10 articles | Viewed by 10018 | Submission Open
Keywords: chitin; chitosan; polysaccharide; polysaccharide-based systems
(This special issue belongs to the Section Macromolecular Chemistry)
Discovery, Isolation, and Mechanisms of Bioactive Natural Products
edited by
submission deadline 30 Sep 2024 | 6 articles | Viewed by 10005 | Submission Open
Keywords: natural product; bioactivity; structural elucidation; mechanism
(This special issue belongs to the Section Natural Products Chemistry)
Determination and Identification of Chemical Compounds in Foods submission deadline 30 Sep 2024 | 6 articles | Viewed by 9491 | Submission Open
Keywords: chemical composition and potential as a nutrient source; supplementary food; and/or functional ingredient; technofunctional characterization and potential application of unconventional raw materials on food products; potential of contaminants and allergens; associations between contaminants’ environmental exposure and disease-promoting effect; bioactive molecules and their potential health-promoting effects; new analytical techniques applied to the determination of chemical compounds in foods; trends and advances in food analysis methods
(This special issue belongs to the Section Food Chemistry)
Organic Contaminants and Microplastics: Analytical Methodologies submission deadline 30 Sep 2024 | 4 articles | Viewed by 9483 | Submission Open
Keywords: microplastics; analytical chemistry; pollution; organic contaminants; environment
(This special issue belongs to the Section Analytical Chemistry)
Advanced Materials, Technologies, and Innovations in Food Packaging towards Sustainability submission deadline 30 Sep 2024 | 7 articles | Viewed by 8953 | Submission Open
Keywords: active packaging; intelligent packaging; edible polymers; biopolymers; bio-based polymers; biodegradable polymers; recyclable polymers; recycled polymers; natural additives
(This special issue belongs to the Section Food Chemistry)
Recent Advances in the Field of Natural Product Synthesis: A Themed Issue in Honor of Professor Ari Mauri Petri Koskinen’s Retirement
edited by and Trond Vidar Hansen
submission deadline 30 Sep 2024 | 7 articles | Viewed by 8842 | Submission Open
Keywords: natural products; synthesis; organocatalysis; enantiosynthesis; biotransformation; semisynthesis
(This special issue belongs to the Section Natural Products Chemistry)
Plant Bioactive Compounds in Pharmaceuticals submission deadline 30 Sep 2024 | 10 articles | Viewed by 8703 | Submission Open
Keywords: bioactive compounds; medicinal plant; phytocomplexes; cell cultures
(This special issue belongs to the Section Natural Products Chemistry)
The Multiple Structural, Physiological, and Biochemical Roles of Fatty Acids submission deadline 30 Sep 2024 | 2 articles | Viewed by 8316 | Submission Open
Keywords: free fatty acid (FFA); triacylglycerol (TAG); wax ester (WE); phospholipid (PL); monoenoic fatty acid (MUFA); polyunsaturated fatty acid (PUFA); omega-3 (ω 3; n-3) fatty acid; mycolic acid; cholesterol ester (CE)
(This special issue belongs to the Section Chemical Biology)
Chemical Conservation of Paper-Based Cultural Heritage
edited by Yueer Yan, and Yuliang Yang
submission deadline 30 Sep 2024 | 7 articles | Viewed by 8157 | Submission Open
Keywords: paper-based cultural heritages; analysis techniques; degradation mechanisms; conservation methods
Gulliver in the Country of Lilliput: An Interplay of Noncovalent Interactions (Volume II) submission deadline 30 Sep 2024 | 7 articles | Viewed by 7945 | Submission Open
Keywords: noncovalent interactions; H-bond; halogen bonds; molecular recognition; IR and Raman spectroscopy; NMR; X-ray diffraction
Advances in the Synthesis of Heterocyclic Compounds and Their Applications submission deadline 30 Sep 2024 | 7 articles | Viewed by 7766 | Submission Open
Keywords: biomimetics and new chemical entities (NCEs); domino reactions; "intelligent" molecule; iterative synthesis; multicomponent reactions; organic (Nano)materials; organo-catalytic systems; selective processes; total synthesis; unconventional methods and techniques
(This special issue belongs to the Section Organic Chemistry)
Recent Advances on Biomass Conversion and CO2 Valorization: Steeping towards a Circular Economy submission deadline 30 Sep 2024 | 6 articles | Viewed by 7568 | Submission Open
Keywords: CO2 valorization; biomass conversion; circular economy; catalysis
(This special issue belongs to the Section Green Chemistry)
Recent Advances in Ionic Liquids and Their Applications
edited by
submission deadline 30 Sep 2024 | 7 articles | Viewed by 7490 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; applications
(This special issue belongs to the Section Applied Chemistry)
Biomaterials Based on Calcium Phosphates and Their Modifications submission deadline 30 Sep 2024 | 5 articles | Viewed by 7387 | Submission Open
Keywords: calcium phosphates; bone cements; scaffolds; hybrid materials; composites
(This special issue belongs to the Section Materials Chemistry)
Bioactive Compounds in Food: Analysis and Human Health submission deadline 30 Sep 2024 | 1 articles | Viewed by 7164 | Submission Open
Keywords: bioactive peptides; polyphenols; food carotenoids; non-nutrients; probiotics; prebiotics; disease; nanoparticles
(This special issue belongs to the Section Medicinal Chemistry)
Natural Bioactive Compounds from Traditional Asian Plants
edited by Mikio Nishizawa
submission deadline 30 Sep 2024 | 4 articles | Viewed by 7134 | Submission Open
Keywords: natural product; medicinal plant; traditional medicine; bioactive molecule; crude drug
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Nanomedicine and Nano-Based Drug Delivery System
edited by
submission deadline 30 Sep 2024 | 5 articles | Viewed by 7057 | Submission Open
Keywords: nanomedicine; nano-based drug delivery; nanoparticle; organic-inorganic composite; nanocomposite hydrogel; cancer therapy; COVID-19 treatment; wound treatment
(This special issue belongs to the Section Nanochemistry)
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 3rd Edition submission deadline 30 Sep 2024 | 5 articles | Viewed by 6702 | Submission Open
Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; Ab initio calculations; protein– protein interactions; free energy profiling; modeling of nucleic acids (mRNA; rRNA; tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals
(This special issue belongs to the Section Medicinal Chemistry)
Electrochemical Energy Conversion and Potential Strategies in Electrochemical Energy Storage submission deadline 30 Sep 2024 | 6 articles | Viewed by 6404 | Submission Open
Keywords: fuel cells; capacitors; batteries; nanomaterials; electrocatalysis
(This special issue belongs to the Section Electrochemistry)
Heterocycles: Design, Synthesis and Biological Evaluation, 2nd Edition submission deadline 30 Sep 2024 | 7 articles | Viewed by 6059 | Submission Open
Keywords: heterocycles; organic synthesis; drug design; biological activity; medicinal chemistry
(This special issue belongs to the Section Chemical Biology)
Advanced Electrode Materials for Electrochemical Energy Storage and Conversion, 2nd Edition
edited by , , and Juzhe Liu
submission deadline 30 Sep 2024 | 6 articles | Viewed by 5999 | Submission Open
Keywords: clean energy; advanced electrode material; morphology and structural regulation; electrocatalysis; battery; supercapacitor; electrochemical energy storage; electrochemical energy conversion
(This special issue belongs to the Section Electrochemistry)
Conventional and Emerging Extraction Techniques for Compounds from Natural Source and Food: 2nd Edition
edited by
submission deadline 30 Sep 2024 | 5 articles | Viewed by 5924 | Submission Open
Keywords: convectional extraction techniques; ultrasound-assisted extraction; microwave-assisted extraction; high-pressure processes; NADES extraction; bioactive compounds
(This special issue belongs to the Section Natural Products Chemistry)
Applications of NMR Spectroscopy to Problem Solving for Inorganic, Organometallic, and Organic Compounds
edited by Paride Papadia
submission deadline 30 Sep 2024 | 5 articles | Viewed by 5834 | Submission Open
Keywords: NMR spectroscopy; metabolomics; structure determination; biomolecular NMR; solid state NMR; conformational analysis; molecular diffusion; low field NMR spectroscopy
Advances in Theoretical Understanding of Nanomaterial Systems through Computer Simulations
edited by and Dong Fan
submission deadline 30 Sep 2024 | 5 articles | Viewed by 5280 | Submission Open
Keywords: computational materials science; first-principles calculations; molecular dynamics; Monte Carlo simulations; nanomaterials
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Anti-inflammatory Molecules
edited by
submission deadline 30 Sep 2024 | 3 articles | Viewed by 5140 | Submission Open
Keywords: chemokines; citokines; dead receptors; interleukin; TNF alpha; lipids
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Application of Raman Spectroscopy in Food Safety submission deadline 30 Sep 2024 | 3 articles | Viewed by 5046 | Submission Open
Keywords: raman spectroscopy; gel and non-gel protein profiling; food safety; prevention; civilization diseases; proteins; biomolecules; allergies; food modification
(This special issue belongs to the Section Analytical Chemistry)
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