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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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Natural Products Chemistry: Advances in Synthetic, Analytical and Bioactivity Studies, 3rd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 303 | 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 294 | 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 285 | 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)
Quinoline and Quinazoline Derivatives: A Valuable Prospect for Drug Discovery
edited by
submission deadline 28 Feb 2027 | Viewed by 264 | Submission Open
Keywords: quinoline; isoquinoline; quinolone; quinazoline; quinazolinone; biological evaluation; chemotherapeutic molecules; anticancer activity
(This special issue belongs to the Section Medicinal Chemistry)
Modern Trends in Natural Compounds in Neurological Diseases
edited by
submission deadline 28 Feb 2027 | Viewed by 246 | 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 242 | 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)
Advanced Hydroxyapatite-Based Biomaterials
edited by Yaşar Murat Elçin
submission deadline 28 Feb 2027 | Viewed by 197 | 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)
Metal Complexes: Synthesis, Characterization and Reactivity
edited by Sibel Demir Kanmazalp and
submission deadline 28 Feb 2027 | Viewed by 193 | 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)
Electroanalysis of Biochemistry and Material Chemistry—3rd Edition
edited by Guangjin Wang
submission deadline 28 Feb 2027 | Viewed by 176 | 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 145 | 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 139 | 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 127 | 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 124 | 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 123 | 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)
Anticancer and Antibacterial Activities of Bioactive Compounds from Plants and Foods submission deadline 28 Feb 2027 | Viewed by 99 | 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)
Batteries: Nanostructured Materials and Interfaces for Advanced Energy Storage
edited by Subrata Chandra Roy
submission deadline 28 Feb 2027 | Viewed by 97 | 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)
Mineral-Derived Functional Materials for Environmental Technologies in Chemistry submission deadline 28 Feb 2027 | Viewed by 96 | 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)
In Silico Methods Applied in Drug and Pesticide Discovery—4th Edition submission deadline 28 Feb 2027 | Viewed by 95 | 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)
Computational Insights into Reaction Mechanisms and Selectivity in Organic Chemistry submission deadline 28 Feb 2027 | Viewed by 86 | 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)
Exploring Analytical Techniques in Pharmaceutical and Biomedical Analysis, 2nd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 83 | 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 82 | 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 75 | 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)
Plant-Based Food Science: Chemical Composition and Biological Activity, 3rd Edition
edited by Barbara Soldo and
submission deadline 28 Feb 2027 | Viewed by 74 | 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)
Antioxidant Plant Natural Products: From Extraction to Translational Applications
edited by
submission deadline 28 Feb 2027 | Viewed by 72 | Submission Open
Keywords: plant antioxidants; sustainable recovery; activity; translational applications; delivery systems
(This special issue belongs to the Section Natural Products Chemistry)
Targeted Small Molecules for Metabolic Disorders and Cancer Therapy
edited by Yong Zhu and Jie Liu
submission deadline 28 Feb 2027 | Viewed by 69 | 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 66 | 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)
Chemical, Physicochemical and Biotechnological Remediation Techniques for Environmental Pollution submission deadline 28 Feb 2027 | Viewed by 63 | 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)
Isolation, Identification and Application of Biologically Active Natural Products—Third Edition
edited by and Zhengxuan Wang
submission deadline 28 Feb 2027 | Viewed by 53 | 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)
New Nanomaterials for Diagnostics and Drug Delivery, 2nd Edition submission deadline 28 Feb 2027 | Viewed by 52 | Submission Open
Keywords: nanomaterials; drug delivery; diagnostic; nano-formulations; 3D printing
(This special issue belongs to the Section Applied Chemistry)
Bioactive Compounds for Health Promotion: Chemistry, Bioactivity and Therapeutic Potential
edited by and
submission deadline 28 Feb 2027 | Viewed by 47 | 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)
Bioactive Compounds and Phytochemical Diversity as Quality Traits in Horticultural Crops submission deadline 28 Feb 2027 | Viewed by 45 | 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)
Natural Compounds and Functional Biopolymers in Food Packaging submission deadline 28 Feb 2027 | Viewed by 37 | 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)
Research and Application of Liquid Chromatography for the Separation and Quantification of Bioactive Compounds
edited by
submission deadline 28 Feb 2027 | Viewed by 35 | 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 23 | 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)
Advanced Technologies for Water Pollution Control, 2nd Edition
edited by and
submission deadline 1 Mar 2027 | Viewed by 59 | 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)
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 2773 | 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 290 | 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 1312 | 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 503 | 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)
Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health—2nd Edition
edited by and
submission deadline 31 Mar 2027 | 3 articles | Viewed by 6228 | Submission Open
Keywords: functional foods; bioactive ingredients; health benefits; immune function; gut health; disease prevention
(This special issue belongs to the Section Food Chemistry)
Nanomaterials for Biomedicine: Innovations and Challenges
edited by and
submission deadline 31 Mar 2027 | 4 articles | Viewed by 5857 | Submission Open
Keywords: nanomaterial; targeted drug delivery; bio-imaging; antimicrobial application; cancer immunotherapy; nanovaccine
(This special issue belongs to the Section Nanochemistry)
Heterocycles: Design, Synthesis and Biological Evaluation, 4th Edition submission deadline 31 Mar 2027 | 3 articles | Viewed by 5493 | Submission Open
Keywords: heterocycles; organic synthesis; drug design; biological activity; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Ionic Liquids and Molecular Materials: Advances in Functional Interfaces and Applications submission deadline 31 Mar 2027 | 4 articles | Viewed by 5394 | Submission Open
Keywords: ionic fluids; bulk properties; surface and interfacial properties; thin films; vacuum engineering; energy harvesting and storage; functional materials
(This special issue belongs to the Section Physical Chemistry)
Food Sustainability: Promising By-Products for Valorization—3rd Edition
edited by , Mihai Babotă and
submission deadline 31 Mar 2027 | 5 articles | Viewed by 4638 | Submission Open
Keywords: agri-food by-products; extraction and separation methods; functional bio-based ingredients; analytical chemistry; plant toxins; secondary metabolites; side-stream processing; biorefinery approaches
(This special issue belongs to the Section Food Chemistry)
Chemistry Applied to Enhanced Oil Recovery
edited by and Mingwei Gao
submission deadline 31 Mar 2027 | 4 articles | Viewed by 4028 | Submission Open
Keywords: advanced chemical materials for EOR; oil–gas field chemical working fluids; molecular engineering of EOR materials; reservoir chemical compatibility; chemical flooding enhancement mechanisms
(This special issue belongs to the Section Applied Chemistry)
Development of Computational Approaches in Chemical Biology
edited by , Dianyong Tang and Yichang Liu
submission deadline 31 Mar 2027 | 3 articles | Viewed by 3977 | Submission Open
Keywords: computational chemical biology; molecular modeling; molecular dynamics simulations; AI in drug discovery; protein–ligand interactions; protein design; biological networks; multi-omics integration
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Degradation of Aromatic Compounds in the Environment submission deadline 31 Mar 2027 | 2 articles | Viewed by 3393 | Submission Open
Keywords: aromatic compounds; microorganisms; biodegradation; biotransformation; advanced oxidation processes
(This special issue belongs to the Section Organic Chemistry)
The Chemistry of Food Quality Changes During Processing and Storage
edited by
submission deadline 31 Mar 2027 | 3 articles | Viewed by 3327 | Submission Open
Keywords: innovative processing; microbiological quality; mitigation strategies; processing optimization; shelf life extension; physicochemical changes; nutritional value; antioxidant capacity
(This special issue belongs to the Section Food Chemistry)
Recent Advances in the Organic Synthesis of Bioactive Natural Compounds and Their Analogs submission deadline 31 Mar 2027 | 2 articles | Viewed by 2580 | Submission Open
Keywords: bioactive natural compounds; organic synthesis; natural products; synthetic methodologies; medicinal chemistry; drug discovery; total synthesis
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Antibacterial Nanomaterials
edited by
submission deadline 31 Mar 2027 | 1 articles | Viewed by 1748 | Submission Open
Keywords: nanoparticles; biochemistry; antibacterial; bacteriostatic; cell membrane
(This special issue belongs to the Section Nanochemistry)
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