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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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Phytochemicals in Medicinal Plants: From Extraction to Bioactivity submission deadline 28 Feb 2027 | Viewed by 352 | Submission Open
Keywords: medicinal plants; phytochemicals; bioactive compounds; extraction strategies; phytochemical profiling; biological activities; health applications; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Organometallic Compounds: Synthesis and Catalysis submission deadline 28 Feb 2027 | Viewed by 330 | Submission Open
Keywords: organometallic compounds; synthesis; catalysis; chemistry; structure
(This special issue belongs to the Section Organometallic Chemistry)
Advanced Structured Catalysts for Sustainable Chemical Transformations submission deadline 28 Feb 2027 | Viewed by 319 | Submission Open
Keywords: structured catalysts; sustainability; porous materials; CO2 utilization; CO2 valorization; biomass conversion; green chemical processes; structure–catalytic performance relationships; shaped catalysts; photocatalysis; electrocatalysis
(This special issue belongs to the Section Green Chemistry)
Antioxidant and Anti-Inflammatory Activities of Plant Extracts
edited by
submission deadline 28 Feb 2027 | Viewed by 315 | Submission Open
Keywords: plant extracts; antioxidant activity; anti-inflammatory activity; secondary metabolites; metabolomics; Nrf2–Keap1 pathway; NF-κB signaling; oxidative stress (ROS/RNS); structure–activity relationship (SAR); multi-omics profiling
(This special issue belongs to the Section Natural Products Chemistry)
Natural Products Chemistry: Advances in Synthetic, Analytical and Bioactivity Studies, 3rd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 313 | Submission Open
Keywords: natural products; medicinal chemistry; syntheis; analytical chemistry; NMR; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Photoactivated Molecules for Applications in Photodynamic and Photothermal Therapy submission deadline 28 Feb 2027 | Viewed by 305 | Submission Open
Keywords: photodynamic therapy (PDT); photothermal therapy (PTT); photoactivated molecules; photosensitizers; photothermal agents; light-triggered drug release; nanomaterials for phototherapy; photochemistry in medicine; photoinactivation of microorganisms; targeted cancer therapy; photophysical properties
(This special issue belongs to the Section Photochemistry)
Molecular Simulations of Energy Materials, 2nd Edition submission deadline 28 Feb 2027 | Viewed by 302 | Submission Open
Keywords: energy materials; molecular simulation; molecular dynamics; Monte Carlo simulations; quantum computation; electronic structure; intra- and intermolecular forces
(This special issue belongs to the Section Physical Chemistry)
Advances in Natural Antimicrobial Compounds
edited by Xiaochen Chen
submission deadline 28 Feb 2027 | Viewed by 296 | Submission Open
Keywords: natural antimicrobials; foodborn pathogens; antibacterial mechanisms; food preservation; essential oils; extraction and characterization; synergistic effects; food safety; shelf-life extension
(This special issue belongs to the Section Natural Products Chemistry)
Quinoline and Quinazoline Derivatives: A Valuable Prospect for Drug Discovery
edited by
submission deadline 28 Feb 2027 | Viewed by 287 | Submission Open
Keywords: quinoline; isoquinoline; quinolone; quinazoline; quinazolinone; biological evaluation; chemotherapeutic molecules; anticancer activity
(This special issue belongs to the Section Medicinal Chemistry)
Metal Complexes: Synthesis, Characterization and Reactivity
edited by Sibel Demir Kanmazalp and
submission deadline 28 Feb 2027 | Viewed by 281 | Submission Open
Keywords: metal complexes; coordination chemistry; synthesis; X-ray diffraction; DFT; molecular docking; catalysis; medicinal chemistry; biological activity
(This special issue belongs to the Section Inorganic Chemistry)
Modern Trends in Natural Compounds in Neurological Diseases
edited by
submission deadline 28 Feb 2027 | Viewed by 256 | Submission Open
Keywords: natural compounds; Alzheimer’s disease; Parkinson’s disease; neurological diseases; inflammation; biological activity; multi-target
(This special issue belongs to the Section Natural Products Chemistry)
Emerging Technologies for Chemical Recovery of Spent Batteries
edited by Yuan Liang and
submission deadline 28 Feb 2027 | Viewed by 251 | Submission Open
Keywords: spent battery recycling; chemical recycling technologies; critical metal recovery; hydrometallurgy; bioleaching; circular economy
(This special issue belongs to the Section Green Chemistry)
Biocatalysis and Enzymes in Pharmaceutical and Biotechnological Processes, 2nd Edition
edited by Enikő Forró
submission deadline 28 Feb 2027 | Viewed by 245 | Submission Open
Keywords: enzymatic reaction; pharmacologically important enantiomeric product; optimization of the reaction conditions (in view of max ee and reasonable reaction rate); suitable analytical method (to follow the progress of the reaction, to calculate the E, ee, conv. values); green conditions; sustainability
(This special issue belongs to the Section Green Chemistry)
Nanoscale Modulation of Cellular Signaling for Diagnostics and Targeted Therapy
edited by Jung Hyun Lee
submission deadline 28 Feb 2027 | Viewed by 222 | Submission Open
Keywords: nanoscale signaling modulation; nano-induced mechanisms; nanostructure–cell interaction; protein nanostructures; mechanism-based diagnostics and therapy
(This special issue belongs to the Section Nanochemistry)
Advanced Hydroxyapatite-Based Biomaterials
edited by Yaşar Murat Elçin
submission deadline 28 Feb 2027 | Viewed by 209 | Submission Open
Keywords: biofabrication; 3D (bio)printing; bone implants; dental materials; biomimetic coatings; self-healing materials; metal ion substitution; sol-gel technology; colloids and interfaces; nanocomposites; imaging agents
(This special issue belongs to the Section Materials Chemistry)
Electroanalysis of Biochemistry and Material Chemistry—3rd Edition
edited by Guangjin Wang
submission deadline 28 Feb 2027 | Viewed by 189 | Submission Open
Keywords: voltammetry; potentiometry; conductometry; electrolytic method; electrochemical biosensors; fuel cells; batteries; supercapacitors
(This special issue belongs to the Section Electrochemistry)
Advances in Materials for Secondary Batteries
edited by Yuxin Fan
submission deadline 28 Feb 2027 | Viewed by 175 | Submission Open
Keywords: electrode materials; electrolytes; separators; binders; interfacial engineering; solid-state batteries; sodium-ion batteries; lithium-ion batteries; battery characterization techniques; battery recycling
(This special issue belongs to the Section Materials Chemistry)
Effects of Functional Foods and Dietary Bioactives on Human Health—2nd Edition
edited by and
submission deadline 28 Feb 2027 | Viewed by 156 | Submission Open
Keywords: functional foods; dietary bioactives; nutraceuticals; molecular nutrition; bioavailability; gut microbiome; multi-omics; metabolomics; polysaccharides; polyphenols; peptides; inflammation; oxidative stress; chronic disease prevention; precision nutrition; translational nutrition; sustainable bioactives
(This special issue belongs to the Section Food 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 143 | 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)
High-Value Utilization of Food and Agricultural By-Products submission deadline 28 Feb 2027 | Viewed by 142 | Submission Open
Keywords: food by-products; agro-industrial by-products; waste valorization; bioactive compounds; sustainable processing; value-added products; biotechnology; circular economy; zero-waste strategy
(This special issue belongs to the Section Food Chemistry)
Plant Essential Oils: Extraction, Characterization and Biological Activity
edited by and
submission deadline 28 Feb 2027 | Viewed by 142 | Submission Open
Keywords: plant essential oils; GC-MS characterization; bioactive compounds; green extraction; antimicrobial and antifungal activity; antioxidant effects; therapeutic potential; natural products
(This special issue belongs to the Section Natural Products Chemistry)
Computational Insights into Reaction Mechanisms and Selectivity in Organic Chemistry submission deadline 28 Feb 2027 | Viewed by 121 | Submission Open
Keywords: computational chemistry; reaction mechanisms; organic reactivity; density functional theory (DFT); reaction selectivity; transition state analysis; molecular modeling; quantum chemical calculations; stereoselectivity; regioselectivity
(This special issue belongs to the Section Computational and Theoretical Chemistry)
In Silico Methods Applied in Drug and Pesticide Discovery—4th Edition submission deadline 28 Feb 2027 | Viewed by 113 | Submission Open
Keywords: molecular modeling of small and complex molecules/macromolecules; homology modeling; molecular docking; virtual screening; ADME-Tox; ligand- and structure-based pharmacophore modeling; QSAR/QSPR models; drug/pesticide design; molecular dynamics
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Batteries: Nanostructured Materials and Interfaces for Advanced Energy Storage
edited by Subrata Chandra Roy
submission deadline 28 Feb 2027 | Viewed by 113 | Submission Open
Keywords: nanostructured materials; interface engineering; solid–electrolyte interphase (SEI); lithium-ion batteries; sodium-ion batteries; solid-state batteries; lithium–sulfur batteries; zinc–air batteries; in situ/operando characterization; electrolyte engineering
(This special issue belongs to the Section Electrochemistry)
Anticancer and Antibacterial Activities of Bioactive Compounds from Plants and Foods submission deadline 28 Feb 2027 | Viewed by 112 | Submission Open
Keywords: bioactive secondary metabolites; antimicrobial resistance (AMR); pharmacokinetics and pharmacodynamics; nanomedicine; green chemistry; drug discovery; chemotherapeutic agents
(This special issue belongs to the Section Natural Products Chemistry)
Mineral-Derived Functional Materials for Environmental Technologies in Chemistry submission deadline 28 Feb 2027 | Viewed by 106 | Submission Open
Keywords: minerals; ores; zeolites; functional materials; composites; synthesis; hydrothermal treatment; thermal treatment; mechanochemical activation; physicochemical characterization; catalysis; adsorbents; environmental technologies
(This special issue belongs to the Section Materials Chemistry)
Exploring Analytical Techniques in Pharmaceutical and Biomedical Analysis, 2nd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 101 | Submission Open
Keywords: pharmaceutical analysis; biomedical analysis; chromatographic analysis; spectroscopic analysis; mass spectrometry analysis; capillary electrophoresis; electrochemical analysis
(This special issue belongs to the Section Analytical Chemistry)
Advanced Materials for Tissue Engineering and Drug Delivery
edited by
submission deadline 28 Feb 2027 | Viewed by 93 | Submission Open
Keywords: tissue repair and regeneration; bone and cartilage reconstruction; drug delivery; wound healing; design; synthesis; characterization; application; biopolymer-based and composite scaffolds; hard and soft tissue engineering; 3D-printed and bioprinted constructs; surface-functionalized biomaterials; smart and stimuli-responsive materials; nanoparticle-based drug delivery and gene delivery systems; hydrogels for cell encapsulation and controlled release; in vitro and in vivo evaluation of biocompatibility and efficacy
(This special issue belongs to the Section Materials Chemistry)
Progress in Applications of Aerogels and Supercritical Drying
edited by and Stefania Mottola
submission deadline 28 Feb 2027 | Viewed by 92 | Submission Open
Keywords: aerogel; supercritical drying; process optimization; biomaterials; aerogel applicability (including insulation, energy transition, adsorption, drug delivery, tissue engineering)
(This special issue belongs to the Section Materials Chemistry)
Antioxidant Plant Natural Products: From Extraction to Translational Applications
edited by
submission deadline 28 Feb 2027 | Viewed by 91 | Submission Open
Keywords: plant antioxidants; sustainable recovery; activity; translational applications; delivery systems
(This special issue belongs to the Section Natural Products Chemistry)
Chemical, Physicochemical and Biotechnological Remediation Techniques for Environmental Pollution submission deadline 28 Feb 2027 | Viewed by 87 | Submission Open
Keywords: environmental pollution; emerging contaminants; physicochemical remediation; chemical and biotechnological strategies; hybrid remediation systems; adsorption processes; heavy metals; hydrocarbons; chlorinated compound; PFAS; pharmaceuticals; micro/nanoplastics; advanced oxidation and reduction processes; electrochemical and photocatalytic systems; modeling; process optimization; life cycle assessment
(This special issue belongs to the Section Green Chemistry)
Plant-Based Food Science: Chemical Composition and Biological Activity, 3rd Edition
edited by Barbara Soldo and
submission deadline 28 Feb 2027 | Viewed by 86 | Submission Open
Keywords: plants; extraction; chemical composition; biologically active compounds; antioxidation; antitumor activity; microbiological activity
(This special issue belongs to the Section Natural Products Chemistry)
New Nanomaterials for Diagnostics and Drug Delivery, 2nd Edition submission deadline 28 Feb 2027 | Viewed by 84 | Submission Open
Keywords: nanomaterials; drug delivery; diagnostic; nano-formulations; 3D printing
(This special issue belongs to the Section Applied Chemistry)
Targeted Small Molecules for Metabolic Disorders and Cancer Therapy
edited by Yong Zhu and Jie Liu
submission deadline 28 Feb 2027 | Viewed by 84 | Submission Open
Keywords: targeted small molecules; medicinal chemistry; synthesis; biological evaluation; metabolic disorders; brain diseases; cancer therapy
(This special issue belongs to the Section Medicinal Chemistry)
Dynamics of Biomacromolecules: Elucidation and Engineering
edited by
submission deadline 28 Feb 2027 | Viewed by 76 | Submission Open
Keywords: biomacromolecular dynamics; protein dynamics; nucleic acid dynamics; lipid dynamics; protein–nucleic acid interactions; protein–lipid interactions; lipid rafts; time-resolved structural biology; molecular dynamics simulations; biomolecular engineering
(This special issue belongs to the Section Chemical Biology)
Bioactive Compounds and Phytochemical Diversity as Quality Traits in Horticultural Crops submission deadline 28 Feb 2027 | Viewed by 73 | Submission Open
Keywords: bioactive compounds; phytochemical diversity; phytochemical profiling; horticultural crops; natural products chemistry; plant secondary metabolites; metabolomics; analytical characterization; antioxidant activity; quality traits
(This special issue belongs to the Section Natural Products Chemistry)
Isolation, Identification and Application of Biologically Active Natural Products—Third Edition
edited by and Zhengxuan Wang
submission deadline 28 Feb 2027 | Viewed by 62 | Submission Open
Keywords: phytochemistry; natural product chemistry; food chemistry; secondary metabolites; isolation and structure elucidation of bioactive compounds; novel analytical techniques in natural products; phytomedicine; biological and pharmacological activity; toxicological evaluation
(This special issue belongs to the Section Natural Products Chemistry)
Natural Compounds and Functional Biopolymers in Food Packaging submission deadline 28 Feb 2027 | Viewed by 54 | Submission Open
Keywords: active packaging; biopolymers; natural compounds; bioactive compounds; sustainability; agro-food by-products; e-circular economy
(This special issue belongs to the Section Food Chemistry)
Bioactive Compounds for Health Promotion: Chemistry, Bioactivity and Therapeutic Potential
edited by and
submission deadline 28 Feb 2027 | Viewed by 54 | Submission Open
Keywords: plants; fungi; marine; food; natural product; polyphenols; peptides; polysaccharides; alkaloids; terpenoids; carotenoids; secondary metabolites; bioactive compound; characterisation; extraction; chemical structure; processing method; bioaccessibility; bioavailability; formulation; and delivery systems; biological activity; biomedical science; pharmacology; nutrition; therapeutic; oxidative stress; inflammation; immune regulation; antimicrobial defence; metabolic dysfunction; tissue repair; respiratory; asthma; chronic obstructive pulmonary disease; environmental lung injury; oxidative damage; lung repair
(This special issue belongs to the Section Natural Products Chemistry)
Research and Application of Liquid Chromatography for the Separation and Quantification of Bioactive Compounds
edited by
submission deadline 28 Feb 2027 | Viewed by 43 | Submission Open
Keywords: liquid chromatography; method validation; bioactive compounds; sample preparation; separation; determination
(This special issue belongs to the Section Analytical Chemistry)
Metal–Organic Frameworks in Biological Systems: Synthesis, Bioactivity, and Biomedical Applications submission deadline 28 Feb 2027 | Viewed by 40 | Submission Open
Keywords: metal–organic frameworks (MOFs); biological and biomedical application; drug delivery; antimicrobial; anticancer; structure–activity relationships
(This special issue belongs to the Section Organometallic Chemistry)
Non-Conventional Processing Technologies for Molecular Modification of Food Biomolecules: Structure–Function Relationships submission deadline 28 Feb 2027 | Viewed by 14 | Submission Open
Keywords: non-conventional technologies; food biomolecules; molecular modification; structure-function relationships; ultrasound; high-pressure processing; cold plasma; pulsed electric fields
(This special issue belongs to the Section Food Chemistry)
Safety Control and Quality Analysis in Food Processing submission deadline 28 Feb 2027 | Viewed by 1 | Submission Open
Keywords: food safety; food quality; NIR spectroscopy; FT-NIR; chemometrics; food adulteration; non-destructive analysis; food processing; authentication; multivariate analysis
(This special issue belongs to the Section Food Chemistry)
Advanced Technologies for Water Pollution Control, 2nd Edition
edited by and
submission deadline 1 Mar 2027 | Viewed by 72 | Submission Open
Keywords: water pollution; advanced oxidation processes; membrane technologies; nanotechnology application; wastewater remediation; advanced technologies
(This special issue belongs to the Section Green Chemistry)
Innovative Chemical Pathways for CO2 Conversion, 2nd Edition
edited by and Juqin Zeng
submission deadline 1 Mar 2027 | Viewed by 14 | Submission Open
Keywords: CO2 conversion; CO2 utilization; carbon capture and utilization (CCU); CO2 reduction; carbon dioxide valorization; catalytic CO2 conversion; electrochemical CO2 reduction; photocatalytic CO2 conversion; thermocatalytic CO2 conversion; green chemistry; sustainable chemistry; carbon recycling; carbon neutrality; circular carbon economy; renewable energy; sustainable chemical processes; carbon-based fuels; value-added chemicals; climate change mitigation; CO2 emissions reduction; decarbonization; energy transition; life cycle assessment; process intensification
(This special issue belongs to the Section Green Chemistry)
Advanced Photo/Electrocatalysts for Energy Conversion and Environmental Applications, 3rd Edition
edited by and Dengrong Sun
submission deadline 10 Mar 2027 | 4 articles | Viewed by 2911 | Submission Open
Keywords: photocatalyst; electrocatalysis; nanostructured materials; surface/interface regulation; environment; energy
(This special issue belongs to the Section Photochemistry)
Emerging Trends in the Design and Functionality of Organic Dyes and Pigments
edited by Alina Raditoiu and
submission deadline 15 Mar 2027 | Viewed by 309 | Submission Open
Keywords: molecular design; functional colorants; sustainable dyes; natural colorants; eco-friendly pigments; photophysical properties; charge transfer mechanisms; textile functionalization; bio-based dyes; synthetic strategies; optical properties; photostability; dye-sensitized applications
(This special issue belongs to the Section Colorants)
The Design and Synthesis of Nanomaterials for Electrochemical Energy Storage and Conversion
edited by Yan Zhou and Zhen Wu
submission deadline 16 Mar 2027 | 1 articles | Viewed by 1349 | Submission Open
Keywords: electrochemical energy storage; electrochemical energy conversion; batteries; supercapacitors; nanostructured electrode materials; nanostructured electrocatalysts
(This special issue belongs to the Section Applied Chemistry)
Advanced Biofuel Production submission deadline 30 Mar 2027 | 1 articles | Viewed by 586 | Submission Open
Keywords: biofuels; biomass conversion; catalysis; pyrolysis; synthetic fuels; waste to energy; renewable diesel; sustainable aviation fuel; hydrothermal liquefaction
(This special issue belongs to the Section Applied Chemistry)
Advances in Nanomaterials for Biomedical Applications, 2nd Edition
edited by Xueen Jia and Ce Zhang
submission deadline 31 Mar 2027 | 3 articles | Viewed by 9107 | Submission Open
Keywords: 2D nanomaterials; metal–organic frameworks (MOFs); metasurfaces; biosensor; drug delivery
(This special issue belongs to the Section Nanochemistry)
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