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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. The journal’s Editor-in-Chief and/or designated EBM 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. For any inquiries related to a Special Issue, please contact the Editorial Office.

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Natural Products Research: Selected Papers from ISCNP31 & ICOB11 submission deadline 31 May 2024 | Viewed by 358 | Submission Open
Keywords: natural products; bioactivity; toxin; bioinformatic analyses; biomaterials; natural products in cosmetic; natural products in food and supplements; biodiversity; chemical ecology; drug discovery
Ligands and Conformational Changes in Receptors
edited by
submission deadline 31 May 2024 | Viewed by 350 | Submission Open
Keywords: receptor-ligand interactions; protein dynamics; structure-based drug discovery; molecular dynamics simulations; GPCRs; molecular basis of receptor activation
(This special issue belongs to the Section Medicinal Chemistry)
Recent Advances in Organic Synthesis towards Novel Drug Designs
edited by and
submission deadline 31 May 2024 | Viewed by 343 | Submission Open
Keywords: organic synthesis; bioactive compounds; drug designs; medicinal chemistry; drug discovery; inhibitors; drug targets
(This special issue belongs to the Section Organic Chemistry)
Theoretical and Computational Chemistry of Superatom Materials
edited by and Peng Wang
submission deadline 31 May 2024 | Viewed by 329 | Submission Open
Keywords: superatom material; photocatalyst; solar cell; LED; density functional theory; experimental method
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Mechanisms of Organic Reactions submission deadline 31 May 2024 | Viewed by 323 | Submission Open
Keywords: chemical transformation; reaction mechanism; kinetic or thermodynamic parameters; theoretical or experimental aspect
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Study on Green Extraction Technology and Biological Activity of Natural Products submission deadline 31 May 2024 | Viewed by 319 | Submission Open
Keywords: food by-products; food bioactive compounds; sustainability; green extraction; novel natural ingredients; advanced extraction techniques (PLE; UAE; SFE; MAE; EAE; PEF); novel solvents
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Magnetic Resonance Methods in Materials Chemistry Analysis
edited by
submission deadline 31 May 2024 | Viewed by 319 | Submission Open
Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magentic resonance in analysis of pharmaceutical products; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries
(This special issue belongs to the Section Materials Chemistry)
Recent Organic Synthesis of Bioactive Compounds submission deadline 31 May 2024 | Viewed by 308 | Submission Open
Keywords: organic synthesis; natural products; bioactive compounds; sustainable synthesis; green chemistry
(This special issue belongs to the Section Organic Chemistry)
Protein-Ligand Interactions submission deadline 31 May 2024 | Viewed by 304 | Submission Open
Keywords: protein–ligand interactions; binding affinity; protein structure and function
(This special issue belongs to the Section Chemical Biology)
Natural Products Chemistry: Advances in Synthetic, Analytical and Bioactivity Studies, Volume II
edited by
submission deadline 31 May 2024 | Viewed by 300 | 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)
Recent Progress in Cancer Therapy
edited by
submission deadline 31 May 2024 | Viewed by 296 | Submission Open
Keywords: Target inhibitors; Cell proliferation; Anticancer drugs; Small molecules; Innovative biomolecular targets; Drug design; Biological activity
(This special issue belongs to the Section Medicinal Chemistry)
Special Issue in Honor of Prof. David Crich’s 65th Birthday for His Outstanding Contributions to Carbohydrate Chemistry
edited by Indrajeet Sharma
submission deadline 31 May 2024 | Viewed by 292 | Submission Open
Keywords: carbohydrate chemistry; stereoselective glycosylation; anomeric effect; sialic acids; stereoselective furanosylation; glycans; oligosaccharides; glycoconjugates
(This special issue belongs to the Section Natural Products Chemistry)
Edible Insects as a Source of Bioactive and Therapeutic Compounds: From Niche to Mainstream
edited by , and Millena Ruszkowska
submission deadline 31 May 2024 | Viewed by 285 | Submission Open
Keywords: allergenicity; alternative sources of nutrients; bioactive peptides; cytotoxicity; digestibility; genotoxicity; novel proteins; nutritional value; peptidomics; protein enrichment; proteomics
(This special issue belongs to the Section Food Chemistry)
Exploring Bioactive Organic Compounds for Drug Discovery, 2nd Edition
edited by
submission deadline 31 May 2024 | Viewed by 275 | Submission Open
Keywords: bioactive compounds; bioactivity evaluation; drug discovery; medicinal chemistry; chemical biology; natural products; lead compounds and pharmacophores; molecular design and organic synthesis
(This special issue belongs to the Section Chemical Biology)
Research Advances in Materials for Solid-State Batteries
edited by
submission deadline 31 May 2024 | Viewed by 237 | Submission Open
Keywords: solid-state batteries; solid-state electrolytes; advanced electrode materials; materials interfaces; materials processing; sustainable materials
(This special issue belongs to the Section Materials Chemistry)
Anthocyanins: From Superfoods to Anticancer Drugs and Biosensors submission deadline 31 May 2024 | Viewed by 197 | Submission Open
Keywords: anthocyanin; functional foods; cancer; biosensor; drug delivery; phytonutrients; gut microbiota; biomedical applications
(This special issue belongs to the Section Food Chemistry)
New Trends of Nuclear Magnetic Resonance Spectroscopy (NMR) in Chemical and Biomolecular Studies
edited by
submission deadline 31 May 2024 | Viewed by 185 | Submission Open
Keywords: NMR spectroscopy; metabolomics; pharmaceutical studies; solid-state NMR; 19F NMR spectroscopy; peptide; IDP proteins
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in (Phospho)lipid-Based Drug Delivery Nanosystems
edited by
submission deadline 31 May 2024 | Viewed by 168 | Submission Open
Keywords: liposomes; solid lipid nanoparticles; nanostructured lipid carriers; nanoemulsions; niosomes; controlled drug delivery; targeted drug delivery; topical drug delivery; parenteral drug delivery
(This special issue belongs to the Section Macromolecular Chemistry)
Nanomaterials for Advanced Biomedical Applications, 2nd Edition
edited by and Ahmed M. Omer
submission deadline 31 May 2024 | Viewed by 146 | Submission Open
Keywords: nanomaterials; wound healing; drug delivery; tissue regeneration; bioactive nanoparticles; polymeric nanocomposites
(This special issue belongs to the Section Materials Chemistry)
Molecular Structural Analysis and Structure-Property Relationships in Materials Chemistry
edited by Marwan Dakkouri and Andrea S. Dakkouri-Baldauf
submission deadline 31 May 2024 | Viewed by 140 | Submission Open
Keywords: molecular structure; effect of substituents; structure– property relationship; hydrogen bonding; molecular life science; drug design; polymer science; optoelectronics
(This special issue belongs to the Section Physical Chemistry)
Medicinal Chemistry of Receptor Agonists and Antagonists
edited by Chong Qin
submission deadline 31 May 2024 | Viewed by 138 | Submission Open
Keywords: receptor agonists; receptor antagonists; GPCR; nuclear receptors; hormone receptors; cytokine receptors
(This special issue belongs to the Section Medicinal Chemistry)
Small Molecule Compounds for Drug Designs
edited by Hideki Tatsukawa
submission deadline 31 May 2024 | Viewed by 126 | Submission Open
Keywords: small-molecule drugs; drug discovery; synthetic drugs; medicinal chemistry; computational chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Asymmetric Tandem Reactions
edited by Hua Wu
submission deadline 31 May 2024 | Viewed by 111 | Submission Open
Keywords: asymmetric synthesis; tandem reaction; chiral stereocenters; C-C formation; multiple processes
(This special issue belongs to the Section Organic Chemistry)
The Preparations and Applications of Organophosphorus Compounds
edited by K. Michał Pietrusiewicz and
submission deadline 31 May 2024 | Viewed by 110 | Submission Open
Keywords: organophosphorus chemistry; organophosphorus compounds; phosphorus-containing heterocycles; reactivity of organophosphorus compounds; phosphorus-based organocatalysis; phosphorus-containing drugs; structure elucidation of organophosphorus compounds
(This special issue belongs to the Section Organic Chemistry)
Preparation and Application of Heterogeneous Catalysts
edited by
submission deadline 31 May 2024 | Viewed by 105 | Submission Open
Keywords: heterogeneous catalysis; heterogeneous catalysts; hydrogen storage; catalytic mechanism; mass transfer process
(This special issue belongs to the Section Physical Chemistry)
Novel Heterogeneous Catalysts: From Synthesis to Their Environmental Applications
edited by Lixia Yang
submission deadline 31 May 2024 | Viewed by 89 | Submission Open
Keywords: heterogeneous catalysis; adsorption; degradation; wastewater treatment; heavy metals; organic pollution; structure
(This special issue belongs to the Section Materials Chemistry)
Research on Natural Toxins from Plants and Food submission deadline 31 May 2024 | Viewed by 88 | Submission Open
Keywords: aquatic biotoxins; cyanogenic glycosides; furocoumarins; lectins; mycotoxins; pyrrolizidine alkaloids; solanines and chaconine
(This special issue belongs to the Section Natural Products Chemistry)
Polymer Electrolytes: Preparation, Characterization and Application
edited by
submission deadline 31 May 2024 | Viewed by 84 | Submission Open
Keywords: polymer electrolytes; conductive polymer; material characterization; batteries; nanocomposites
(This special issue belongs to the Section Materials Chemistry)
Graphene-Like 2D Materials
edited by
submission deadline 31 May 2024 | Viewed by 16 | Submission Open
Keywords: graphene; two-dimensional materials; graphene-like materials; carbon allotropes; electronic properties; optical properties; mechanical properties; thermal properties; charge transport
(This special issue belongs to the Section Materials Chemistry)
Lipids in Food Chemistry, 2nd Edition
edited by
submission deadline 1 Jun 2024 | 1 articles | Viewed by 731 | Submission Open
Keywords: lipids; minor components; processing; health benefits; nutrition; synthesis; oxidation
(This special issue belongs to the Section Food Chemistry)
Adsorbents in Treatment of Pollutants
edited by
submission deadline 15 Jun 2024 | 8 articles | Viewed by 9029 | Submission Open
Keywords: adsorbents; pollutants; water treatment; adsorption mechanism; synthesis; charaterization; adsorption kinetics; adsorption thermodynamics
(This special issue belongs to the Section Materials Chemistry)
Biomass and Waste Conversion and Valorization to Chemicals, Energy and Fuels
edited by José A.P. Coelho and
submission deadline 15 Jun 2024 | 9 articles | Viewed by 8182 | Submission Open
Keywords: plants and microalgal biomass; green chemistry; waste valorisation; compressed solvents; biofuels; biorefinery
(This special issue belongs to the Section Green Chemistry)
Computational Approaches in Drug Discovery and Design
edited by
submission deadline 15 Jun 2024 | 4 articles | Viewed by 4498 | Submission Open
Keywords: combined and integrated approaches in CADD; QM/MM and quantum chemical computations for protein– ligand binding; scoring function; binding free energy; target identification; molecular docking molecular dynamics simulation; machine learning or deep learning; data fitting; database; pattern recognition; druglikeness; drug design or drug discovery
(This special issue belongs to the Section Computational and Theoretical Chemistry)
State of the Art and Prospects for Deep Eutectic Solvents
edited by Wei Jiang and Dechao Wang
submission deadline 15 Jun 2024 | 2 articles | Viewed by 1929 | Submission Open
Keywords: deep eutectic solvents; ionic liquids; extraction; catalysis; adsorption; conversion; theoretical calculation
(This special issue belongs to the Section Molecular Liquids)
Electrochemical Sensors and Cells for Environmental Applications submission deadline 16 Jun 2024 | 3 articles | Viewed by 6751 | Submission Open
Keywords: electrochemical sensors; biosensors; microbial fuel cells; electrogenic bacteria; electrochemical AOPs; electrodialysis; electrocoagulation; electrocatalysts; electrode materials
(This special issue belongs to the Section Electrochemistry)
Spectroscopy and Chromatography in Food and Environmental Analysis
edited by and
submission deadline 25 Jun 2024 | 4 articles | Viewed by 5596 | Submission Open
Keywords: spectroscopy; chromatography; food analysis; environmental analysis; mass spectrometry; environmental pollutant
(This special issue belongs to the Section Analytical Chemistry)
Surfactants at the Soft Interfacial Layer
edited by
submission deadline 28 Jun 2024 | 1 articles | Viewed by 849 | Submission Open
Keywords: surfactant; water surface; evaporation; emulsion; foaming
(This special issue belongs to the Section Physical Chemistry)
Advances in Natural Products and Their Biological Activities submission deadline 30 Jun 2024 | 75 articles | Viewed by 151024 | Submission Open
Keywords: phytochemical; natural product; phytotherapy; medicinal plants; biological activity pharmaceutical formulations; biological activity; pharmacological or toxicology effects
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Molecules and Drug Lead Compounds
edited by
submission deadline 30 Jun 2024 | 8 articles | Viewed by 34382 | Submission Open
Keywords: natural products; medicinal plants; small molecules of helminths; isolation of compounds; structure elucidation of novel compounds; metabolomics characterization; bioactivities; antimalarials; antimicrobials; anthelminthics; anti-inflammatories; toxicity
(This special issue belongs to the Section Natural Products Chemistry)
ECSOC-26 submission deadline 30 Jun 2024 | 16 articles | Viewed by 28065 | Submission Open
(This special issue belongs to the Section Organic Chemistry)
Exclusive Feature Papers in Inorganic Chemistry 2.0 submission deadline 30 Jun 2024 | 23 articles | Viewed by 23596 | Submission Open
(This special issue belongs to the Section Inorganic Chemistry)
Protein Structure, Function and Interaction submission deadline 30 Jun 2024 | 12 articles | Viewed by 22731 | Submission Open
Keywords: protein structure; crystallography; electron microscopy; enzymes; carbohydrates; nucleic acids; binding; catalysis
(This special issue belongs to the Section Molecular Structure)
Analytical Chemistry in Europe: Towards Sustainability and Quality of Life submission deadline 30 Jun 2024 | 11 articles | Viewed by 20139 | Submission Open
Keywords: analytical and bioanalytical methods; chemistry; drugs; toxic compounds; biomarkers; sample preparation; life quality; sustainability
(This special issue belongs to the Section Analytical Chemistry)
Nanomaterials: Preparation Using Chemical Methods—from Fundamental Approaches towards Emerging Technological Applications submission deadline 30 Jun 2024 | 9 articles | Viewed by 19088 | Submission Open
Keywords: functional nanomaterials; photocatalysis for energy applications; advanced water purification; environmental catalysis; nanostructures; surface area; electrocatalysis
(This special issue belongs to the Section Materials Chemistry)
Challenges in Food Flavor and Volatile Compounds Analysis submission deadline 30 Jun 2024 | 10 articles | Viewed by 18538 | Submission Open
Keywords: flavor; aroma compounds; volatiles; gas chromatography; mass spectrometry; sample preparation; hyphenated methods
(This special issue belongs to the Section Flavours and Fragrances)
Recent Progress for Structure and Function Prediction of Protein and RNA
edited by , Yang Cao, , and
submission deadline 30 Jun 2024 | 7 articles | Viewed by 16342 | Submission Open
Keywords: protein structure prediction; protein function prediction; RNA structure prediction; protein-ligand binding; end-to-end protein folding; distance– map prediction; model quality estimation; protein-protein complex
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Chemical Insights in Photofunctional Organic Compounds—a Themed Issue Dedicated to Professor Vaidhyanathan Ramamurthy
edited by Jack Saltiel
submission deadline 30 Jun 2024 | 12 articles | Viewed by 15797 | Submission Open
Keywords: photochemistry and photophysics; supramolecular photochemistry; photocatalysis; mechanistic photochemistry; sustainable photochemistry; real life applications of photochemistry; photochemistry in synthesis
(This special issue belongs to the Section Photochemistry)
Advances in Density Functional Theory (DFT) Calculation submission deadline 30 Jun 2024 | 10 articles | Viewed by 13548 | 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)
Sustainable Development and Application of Renewable Chemicals from Biomass and Waste II submission deadline 30 Jun 2024 | 10 articles | Viewed by 13456 | Submission Open
Keywords: biomass waste reutilization; applications of lignin; applications of cellulose and hemicellulose; energy generation from biomass/waste; biochemistry of biomass/waste; hygienic paints; antimicrobial fabrics
(This special issue belongs to the Section Applied Chemistry)
Properties and Applications of Ionic Liquids-Based Advanced Materials submission deadline 30 Jun 2024 | 9 articles | Viewed by 13431 | Submission Open
Keywords: ionic liquids; physical and chemical properties; nano-structuration and self-assembly; bulk properties; surface and interfacial properties; energy harvesting and storage
(This special issue belongs to the Section Materials Chemistry)
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