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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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Essential Oils: From Extraction to Application submission deadline 31 May 2024 | 9 articles | Viewed by 23101 | 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)
Computational Drug Discovery: Methods and Applications
edited by and
submission deadline 31 May 2024 | 11 articles | Viewed by 18170 | Submission Open
Keywords: molecular docking; pharmacophore modeling; molecular dynamics; de novo design and generative models; virtual screening; ADME-Tox prediction; protein– ligand binding affinity prediction; protein structure prediction
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Natural Products in Anticancer Activity submission deadline 31 May 2024 | 10 articles | Viewed by 17416 | Submission Open
Keywords: natural products; anticancer; drug; nature; molecule
(This special issue belongs to the Section Natural Products Chemistry)
Design and Preparation of Organic Fluorescent Materials for Detection and Bio-Imaging
edited by and
submission deadline 31 May 2024 | 10 articles | Viewed by 17268 | Submission Open
Keywords: fluorescent probes; bio-imaging; organic fluorophores
(This special issue belongs to the Section Materials Chemistry)
Deep Eutectic Solvents: Properties and Applications as Green Solvents submission deadline 31 May 2024 | 9 articles | Viewed by 16658 | Submission Open
Keywords: eutectic solvents; natural deep eutectic solvents; therapeutic deep eutectic solvents; physicochemical and thermodynamic properties; extraction and separation; catalysis; organic synthesis; drug delivery
(This special issue belongs to the Section Applied Chemistry)
Photocatalytic Materials and Photocatalytic Reactions
edited by
submission deadline 31 May 2024 | 15 articles | Viewed by 15090 | Submission Open
Keywords: photocatalysts; carbon neutral; charge carrier separation; photocatalytic mechanism; photoredox reaction; nanocomposites
(This special issue belongs to the Section Photochemistry)
Advance in Radiochemistry submission deadline 31 May 2024 | 10 articles | Viewed by 13787 | Submission Open
Keywords: radionuclide (radioisotopes); radiolabeling; radiopharmaceutical (radiotracer); nuclear medicine; theranostics (diagnostics and therapeutics); molecular imaging
(This special issue belongs to the Section Medicinal Chemistry)
Molecular Modeling: Advancements and Applications II
edited by
submission deadline 31 May 2024 | 9 articles | Viewed by 13718 | Submission Open
Keywords: quantum mechanics; molecular mechanics (MM); molecular dynamics (MD); semiempirical 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 noncovalent 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)
Coordination Chemistry in Cancer Therapy submission deadline 31 May 2024 | 3 articles | Viewed by 13181 | Submission Open
Keywords: metal-based anticancer drug; coordination chemistry; anticancer drug design; action mechanism; cancer therapy; combination therapy; QSAR; molecular docking
(This special issue belongs to the Section Medicinal Chemistry)
Food Chemistry in Europe submission deadline 31 May 2024 | 7 articles | Viewed by 12016 | 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)
Recent Advances of Catalytic Asymmetric Synthesis
edited by
submission deadline 31 May 2024 | 9 articles | Viewed by 11472 | Submission Open
Keywords: asymmetric catalysis; asymmetric synthesis; transition-metal-catalyzed asymmetric reaction; organocatalyzed asymmetric reaction; enzyme-catalyzed asymmetric reaction; chiral catalyst; asymmetric kinetic resolution; mechanism of asymmetric catalysis
(This special issue belongs to the Section Organic Chemistry)
Battery Chemistry: Recent Advances and Future Opportunities
edited by and
submission deadline 31 May 2024 | 8 articles | Viewed by 11049 | Submission Open
Keywords: electrochemistry; surface/interface chemistry; electrocatalytic reaction; oxygen reduction reaction; oxygen evolution reaction; quantum chemistry; materials chemistry; rechargeable batteries
(This special issue belongs to the Section Electrochemistry)
Recent Advances in Flame Retardant Polymeric Materials
edited by
submission deadline 31 May 2024 | 6 articles | Viewed by 10781 | Submission Open
Keywords: polymeric materials; flame retardants; synthesis; multifunctionality; mechanisms; nanocomposites
(This special issue belongs to the Section Materials Chemistry)
Neuroprotective Agents II
edited by
submission deadline 31 May 2024 | 3 articles | Viewed by 10368 | Submission Open
Keywords: neuroprotection; neuroprotective agents; neuroprotective drugs; neurotherapeutics; neuroapoptosis; neuronal cell death; drug discovery and development; synthetic molecules; natural products; drug targets and mechanisms; central nervous system (CNS) disorders; neurodegenerative diseases; Alzheimer’ s disease (AD); Parkinson’ s disease (PD); amyotrophic lateral sclerosis (ALS); dementia; stroke; traumatic brain injury (TBI); spinal cord injury; schizophrenia; drug abuse-induced neurotoxicity (i.e.; methamphetamine overdoses); retinal diseases and glaucoma
(This special issue belongs to the Section Medicinal Chemistry)
Advances in the Applications of Surface Enhanced Raman Scattering submission deadline 31 May 2024 | 7 articles | Viewed by 10001 | Submission Open
Keywords: surface-enhanced Raman scattering; enhancement; applications; nanoparticles; plasmons
(This special issue belongs to the Section Analytical Chemistry)
Plant Secondary Metabolites with Health Effects: Discovery and Engineering submission deadline 31 May 2024 | 4 articles | Viewed by 9407 | Submission Open
Keywords: plant secondary metabolites with health benefits; biochemical pathways engineering; phenolics and flavonoids; terpenoids; alkaloids; sterols; saponins; tannins; genome editing; CRISPR/Cas9; cis-genesis
(This special issue belongs to the Section Natural Products Chemistry)
Applications and Method Developments of Nuclear Magnetic Resonance (NMR) Spectroscopy and Hyperpolarized Magnetic Resonance Techniques submission deadline 31 May 2024 | 5 articles | Viewed by 9183 | Submission Open
Keywords: hyperpolarized magnetic resonance; parahydrogen; dynamic nuclear polarization; optical pumping; contrast agents; low field
(This special issue belongs to the Section Applied Chemistry)
Advances in Selenium Catalysts and Antioxidants submission deadline 31 May 2024 | 7 articles | Viewed by 9130 | Submission Open
Keywords: selenoenzyme models; selenosugars; biomimetics; reactive oxygen species; nanoparticles; chalcogen bond; catalytic reactions; organoselenium compounds
(This special issue belongs to the Section Organic Chemistry)
Food Sustainability: Promising By-Products for Valorization—2nd Edition submission deadline 31 May 2024 | 5 articles | Viewed by 8334 | Submission Open
Keywords: food sustainability; by-product composition; bioactivities; potential applications; innovation
(This special issue belongs to the Section Food Chemistry)
Metal-Based Nanoparticles Synthesis and Antimicrobial Applications
edited by
submission deadline 31 May 2024 | 4 articles | Viewed by 7191 | Submission Open
Keywords: metals; nanoclusters; organic synthesis; green synthesis
(This special issue belongs to the Section Inorganic Chemistry)
Research on Polyphenolic Compounds from Nature Products: Extraction, Analysis and Biological Properties
edited by
submission deadline 31 May 2024 | 4 articles | Viewed by 6803 | Submission Open
Keywords: polyphenols; separation techniques; HPLC; LC-MS; antioxidant activity; biological activity
(This special issue belongs to the Section Natural Products Chemistry)
Cotton Research on Molecular Levels: From Biosynthesis Chemistry to End-Product Utilization
edited by and
submission deadline 31 May 2024 | 3 articles | Viewed by 6669 | Submission Open
Keywords: cotton; fiber; cottonseed; biosynthesis; cotton chemistry; cotton breeding; post-harvest utilization
(This special issue belongs to the Section Natural Products Chemistry)
Processing of Materials by Supercritical Fluids—Part II
edited by
submission deadline 31 May 2024 | 5 articles | Viewed by 6595 | Submission Open
Keywords: supercritical fluids; materials; aerogels; particles; membranes; fibers; scaffolds
(This special issue belongs to the Section Green Chemistry)
Advanced Materials for Energy Conversion and Water Sustainability
edited by and
submission deadline 31 May 2024 | 7 articles | Viewed by 6266 | 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)
Advanced Nanomaterials for Catalysis: Synthesis, Characterization and Application
edited by , and Ajay Kumar Mishra
submission deadline 31 May 2024 | 7 articles | Viewed by 6123 | Submission Open
Keywords: metal organic framework; covalent organic framework; covalent organic polymer; ionic liquid; metal nano particle
(This special issue belongs to the Section Materials Chemistry)
Functionalized Inorganic and Organic Materials: Applications in Sensing, Diagnosis and Pharmaceutics
edited by
submission deadline 31 May 2024 | 5 articles | Viewed by 6075 | Submission Open
Keywords: inorganic metal nanomaterials; inorganic nonmetal nanomaterials; small-molecule fluorophores; polymers; chemo- and biosensing; in vitro and in vivo imaging; antibacterial; pharmaceutical application
(This special issue belongs to the Section Materials Chemistry)
Chromatographic Methods for Monitoring Food Safety and Quality submission deadline 31 May 2024 | 4 articles | Viewed by 5995 | 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)
Natural Antioxidants, Dyes and Their Synthetic Analogs
edited by
submission deadline 31 May 2024 | 3 articles | Viewed by 5879 | Submission Open
Keywords: carotenoids; terpenoids; (poly)phenols; porphyrins; polyenes; antioxidants
(This special issue belongs to the Section Natural Products Chemistry)
Nanomaterials for Energy Storage and Conversion
edited by and Xianguang Meng
submission deadline 31 May 2024 | 6 articles | Viewed by 5789 | 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)
Bioactive Compounds from Natural Materials: A New Perspective in Medicinal Chemistry
edited by Nan Ma, and James C. B. Li
submission deadline 31 May 2024 | 4 articles | Viewed by 5358 | Submission Open
Keywords: natural products; natural product derivatives; bio-active compounds; potential targets; mechanism of action
(This special issue belongs to the Section Medicinal Chemistry)
Molecular Targets and Drug Discovery for Metabolic Disorders: Challenges, Recent Developments, and Prospects submission deadline 31 May 2024 | 3 articles | Viewed by 5197 | Submission Open
Keywords: metabolic disorders; drug design; drug discovery; drug synthesis; lead generation; lead optimization; molecular targets; structure– activity relationships
(This special issue belongs to the Section Medicinal Chemistry)
NMR in Biochemical Research: From Small Molecules to Macromolecular Complexes submission deadline 31 May 2024 | 5 articles | Viewed by 5171 | Submission Open
Keywords: NMR; structure and dynamics; metabolomics; drug design; biomolecular interactions; ligand– biomolecule interactions
(This special issue belongs to the Section Physical Chemistry)
Fluorescence Probes as Disease Molecular Diagnosis
edited by and Dongdong Su
submission deadline 31 May 2024 | 4 articles | Viewed by 5066 | Submission Open
Keywords: fluorescence probes; biomarker; fluorescence imaging; molecular diagnosis; nucleic acid amplification; prognosis; nanotechnology
(This special issue belongs to the Section Medicinal Chemistry)
New Advances in Deep Eutectic Solvents
edited by Iuliia V. Voroshylova and Elisabete Ferreira
submission deadline 31 May 2024 | 5 articles | Viewed by 5054 | Submission Open
Keywords: green chemistry; natural compounds; sustainable processes; solvents; electrolytes; extraction
(This special issue belongs to the Section Green Chemistry)
The Current Landscape of Nucleic-Acid-Based Drugs
edited by
submission deadline 31 May 2024 | 3 articles | Viewed by 4929 | Submission Open
Keywords: nucleic acid therapeutics; DNA nanostructure; drug delivery platforms; drug delivery systems; therapeutic effectiveness
(This special issue belongs to the Section Medicinal Chemistry)
Functional Foods and Dietary Bioactives in Human Health submission deadline 31 May 2024 | 3 articles | Viewed by 4916 | Submission Open
Keywords: food; nutrition; human health; functional foods; bioactive molecules; food products; nutraceutics
(This special issue belongs to the Section Natural Products Chemistry)
IR Spectroscopy: An Emerging Analytical Tool submission deadline 31 May 2024 | 4 articles | Viewed by 4900 | Submission Open
Keywords: infrared spectroscopy; biomedical analysis; pharmaceutical analysis; food analysis; forensic analysis; analytical techniques
(This special issue belongs to the Section Analytical Chemistry)
Enzymes in Biosynthesis and Biocatalysis submission deadline 31 May 2024 | 5 articles | Viewed by 4889 | Submission Open
Keywords: biocatalysis; biosynthesis; green processes; enzyme; renewable sources; immobilization; enzymatic synthesis
(This special issue belongs to the Section Chemical Biology)
Innovative Computational and Experimental Approaches for Tackling Neurodegenerative Diseases
edited by and
submission deadline 31 May 2024 | 2 articles | Viewed by 4817 | Submission Open
Keywords: neurodegenerative diseases; Alzheimer’ s disease; Parkinson’ s disease; disordered proteins; molecular modelling; chemoinformatics; artificial intelligence; experimental techniques; polypharmacology; drug repurposing
(This special issue belongs to the Section Medicinal Chemistry)
Organic Synthesis and Application of Bioactive Molecules
edited by
submission deadline 31 May 2024 | 5 articles | Viewed by 4556 | 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)
Biopolymers and Polymer Molecules in Drug Delivery
edited by
submission deadline 31 May 2024 | 3 articles | Viewed by 4333 | Submission Open
Keywords: polymers; biopolymers; drug discovery; drug design; nano- and microcapsules; vesicles; conjugates; antibiotics; anti-cancer
(This special issue belongs to the Section Macromolecular Chemistry)
Five and Six-Membered Heterocyclic Compounds and Their Therapeutic Potential II submission deadline 31 May 2024 | 3 articles | Viewed by 4175 | Submission Open
Keywords: anti-Alzheimer; anticancer; antitubercular; catalysts; green synthesis; heterocyclic compounds; in silico studies; molecular docking; molecular dynamics; oxadiazoles; organic synthesis; pyrazoles; solvent free synthesis; thiadiazoles; ultrasonic and microwave synthesis; nanoparticles
(This special issue belongs to the Section Organic Chemistry)
Analysis and Application of Active Compounds in Food
edited by
submission deadline 31 May 2024 | 2 articles | Viewed by 3816 | Submission Open
Keywords: composition; flavour; nutrient; food matrix; reformulation; mechanisms
(This special issue belongs to the Section Analytical Chemistry)
Advance Nanomaterials for Photoelectrochemistry Energy Storage/Generation and Environmental Remediations submission deadline 31 May 2024 | 1 articles | Viewed by 3543 | Submission Open
Keywords: nanomaterials and nanocomposites; electrochemical and photoelectrochemical water splitting; supercapacitors; batteries; electrochemical sensors; electrochemical CO2 conversion; photocatalytic remediations; solar cells; electrochemical organic transformation; electrochemical deposition
(This special issue belongs to the Section Electrochemistry)
Nanomedicine: Applications and Development Prospects
edited by
submission deadline 31 May 2024 | 2 articles | Viewed by 3503 | Submission Open
Keywords: nanomedicine; nanobiomaterials; therapeutics; drug delivery; metabolism; disease; diagnosis; imaging; cancer
(This special issue belongs to the Section Nanochemistry)
Recent Advances in Green Solvents II
edited by
submission deadline 31 May 2024 | 3 articles | Viewed by 3466 | Submission Open
Keywords: green solvents (deep eutectic solvents; ionic liquids; and supercritical fluids); theoretical and thermodynamic investigations; green processes; sustainable separations; reactions and catalysis; environmental chemistry; bioproducts and biofuels; sustainable foods and pharmaceuticals
(This special issue belongs to the Section Applied Chemistry)
Drug Design and Activity Screening of Targeted Proteins
edited by
submission deadline 31 May 2024 | 2 articles | Viewed by 3130 | Submission Open
Keywords: drug design and synthesis; structure-based drug design; medicinal chemistry; innovative drug research; action between drug and target; docking research
(This special issue belongs to the Section Organic Chemistry)
Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications submission deadline 31 May 2024 | 2 articles | Viewed by 3080 | Submission Open
Keywords: medicinal chemistry; heterocycles; organic synthesis; natural products; pharmacophore; artificial intelligence; CNS drugs; antibacterial agents; antiviral drugs; anticancer agents; enzyme modulators; receptor modulators; ion channel modulators
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Compounds in Plant Extracts: Anti-inflammatory, Antioxidant, and Anticancer Properties and Applications
edited by , and Saiwang Seto
submission deadline 31 May 2024 | 2 articles | Viewed by 2874 | Submission Open
Keywords: anti-inflammatory; antioxidant; anticancer; bioactive compounds; plant extracts; properties; bioactivity; drug targets; application
(This special issue belongs to the Section Natural Products Chemistry)
Novel Catalytic Materials and Underlying Reaction Mechanisms for Air Purification and CO2 Conversion
edited by Xinbo Zhu and
submission deadline 31 May 2024 | 2 articles | Viewed by 2694 | Submission Open
Keywords: CO2 conversion; CO2 utilization; CO; VOCs; NOx
(This special issue belongs to the Section Materials Chemistry)
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