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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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Fluorescent Molecular Tools for Neuroscience Research

edited by Sheng Xie

submission deadline 30 Jun 2026 | Viewed by 103 | Submission Open

Keywords: histochemical method; fluorescent probes; brain-wide 3D imaging; neuropathology; immunofluorescence labeling; transgenic labeling; small-fluorophore labeling; metallophilic labeling; virus-based labeling

(This special issue belongs to the Section Cross-Field Chemistry)

The Electrochemical Oxidation of Small Organic Molecules

edited by

Jelena D. Lović

and Sanja Stevanovic

submission deadline 30 Jun 2026 | Viewed by 101 | Submission Open

Keywords: heterogeneous electrocatalysis; organic molecules; surface electrochemistry; nanomaterials; material characterization

(This special issue belongs to the Section Electrochemistry)

Progress in Green Analytical Methods for the Detection of Trace Substances in Complex Matrices

edited by

Federica Bianchi

and

Nicolò Riboni

submission deadline 30 Jun 2026 | Viewed by 99 | Submission Open

Keywords: green analytical chemistry; greenness evaluation metrics; integrated analytical platforms; miniaturized sample preparation; green materials for sample pre-treatment; on-line and in-line sampling; automatization

(This special issue belongs to the Section Analytical Chemistry)

Advances in Environmental Remediation and Wind–Sand Stabilization Materials

edited by

Baoshou Shen

submission deadline 30 Jun 2026 | Viewed by 97 | Submission Open

Keywords: soil remediation and improvement; water purification; windbreak and sand fixation; air purification materials; natural eco-materials

(This special issue belongs to the Section Applied Chemistry)

Deep Eutectic Solvents: Properties, Applications and Perspectives

edited by

Ana Rita C. Duarte

and

Tiancheng Mu

submission deadline 30 Jun 2026 | Viewed by 95 | Submission Open

Keywords: green chemistry; deep eutectic systems; physico-chemical properties; thermodynamic modelling; application development; extraction; biocatalysis; CO2 capture; electrochemistry

(This special issue belongs to the Section Green Chemistry)

Advances in Supramolecular Systems for Biomolecular Recognition

edited by Liping Cao and

Evgeny Kataev

submission deadline 30 Jun 2026 | Viewed by 93 | Submission Open

Keywords: supramolecular systems; biomolecular recognition; host-guest interactions; molecular sensors; drug delivery; molecular scaffolds; biomolecular diagnostics; therapeutic applications

(This special issue belongs to the Section Molecular Structure)

Advances in Research on Natural Compounds for the Treatment of Depressive Disorders

edited by

Damião Pergentino de Sousa

submission deadline 30 Jun 2026 | Viewed by 92 | Submission Open

Keywords: volatile essential oils; medicinal plants; alkaloids; flavonoids; phenols; metabolites; terpenes; antidepressants

(This special issue belongs to the Section Natural Products Chemistry)

Advances in Plant-Based Materials

edited by

Beata Polak

submission deadline 30 Jun 2026 | Viewed by 91 | Submission Open

Keywords: isolation; investigation; plant compounds; bioactive activity; extraction techniques; chromatographic techniques; electromigrational techniques

(This special issue belongs to the Section Natural Products Chemistry)

Topological Polymers for Advanced Materials

edited by

Afang Zhang

Wen Li

and Jiatao Yan

submission deadline 30 Jun 2026 | Viewed by 89 | Submission Open

Keywords: dendritic macromolecules; molecular brushes; polymer brushes; comb-like polymers; star polymers; graft polymers; polyrotaxanes; 2D polymers

(This special issue belongs to the Section Materials Chemistry)

Natural Products and Microbiology in Human Health, 2nd Edition

edited by

Ian Edwin Cock

submission deadline 30 Jun 2026 | Viewed by 87 | Submission Open

Keywords: traditional medicine; antibiotics; antibiotic natural products; probiotics; novel antimicrobial therapies; microbial toxins; phytochemicals; antibiotic-resistant bacteria; drug potentiation

(This special issue belongs to the Section Natural Products Chemistry)

Carbohydrate-Based Drug Delivery Systems: Chemistry, Design, and Therapeutic Potential

edited by

Georgia N. Valsami

Natassa Pippa

and Paraskevi Papakyriakopoulou

submission deadline 30 Jun 2026 | Viewed by 85 | Submission Open

Keywords: carbohydrate-based drug delivery systems; polysaccharides; cyclodextrins; drug loading and release; routes of administration; in vitro– in vivo evaluation; PK/PD studies

(This special issue belongs to the Section Macromolecular Chemistry)

Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 3rd Edition

edited by

Irinel Adriana Badea

and

Rodica Olar

submission deadline 30 Jun 2026 | Viewed by 84 | Submission Open

Keywords: phytochemicals; natural products; traditional medicine; liquid– liquid extraction; hydro distillation and steam distillation; solid-phase extraction; Soxhlet extraction; pressurized liquid extraction; supercritical fluid extraction; ultrasound-assisted extraction; microwave-assisted extraction; enzyme-assisted extraction; pulsed electric field extraction; HPLC; HPLC-MS; GC-MS; NMR; IR; in vitro assay; in vivo assay; antioxidant; anti-inflammatory; antimicrobial; antitumoral activity

(This special issue belongs to the Section Natural Products Chemistry)

Lipid Oxidation and Flavor in Foods

edited by

Fernanda Furlan Gonçalves Dias

submission deadline 30 Jun 2026 | Viewed by 82 | Submission Open

Keywords: lipid oxidation; food flavor; bioactive compounds in food

(This special issue belongs to the Section Food Chemistry)

Computational Drug Design

edited by Hajime Hirao

submission deadline 30 Jun 2026 | Viewed by 79 | Submission Open

Keywords: AI-based drug design; molecular docking; molecular dynamics simulations; QM/MM calculations; pharmacophore modeling; cheminformatics; ADMET prediction

(This special issue belongs to the Section Medicinal Chemistry)

Photoactivated Molecules for Applications in Photodynamic and Photothermal Therapy

edited by

Samuel L. Oliveira

Anderson R. L. Caires

and

Cynthia S.A. Caires

submission deadline 30 Jun 2026 | Viewed by 78 | 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)

Pharmacological Evaluation and Phytochemical Analysis of Natural Products, 2nd Edition

edited by

Sergio Faloni de Andrade

submission deadline 30 Jun 2026 | Viewed by 75 | Submission Open

Keywords: natural products; phytochemistry; pharmacological evaluation; secondary metabolites; phytochemical analysis

(This special issue belongs to the Section Natural Products Chemistry)

MOF-Based Catalysts for CO₂ Capture and Conversion

edited by Ning Liu and

Wenyuan Huang

submission deadline 30 Jun 2026 | Viewed by 75 | Submission Open

Keywords: metal– organic frameworks (MOFs); CO2 capture and conversion; heterogeneous catalysis; sustainable catalysis; porous materials; green chemistry; structure– activity relationship; carbon utilization

(This special issue belongs to the Section Materials Chemistry)

Ionic Liquids and Deep Eutectic Solvents: From Synthesis to Emerging Applications

edited by Marina Cvjetko Bubalo and

Pedro Lozano

submission deadline 30 Jun 2026 | Viewed by 74 | Submission Open

Keywords: microwave-assisted organic synthesis; biotransformation; green chemistry; ionic liquids; antioxidant activity; phenolic compounds; reactor design; cytotoxicity; environmental engineering; green technology

(This special issue belongs to the Section Green Chemistry)

Preparation, Characterization and Application of Activated Carbons

edited by

Karolina Kiełbasa

and

Joanna Sreńscek-Nazzal

submission deadline 30 Jun 2026 | Viewed by 69 | Submission Open

Keywords: activated carbons; carbon materials; adsorption; absorption; adsorbents; porous materials; biomass-derived porous materials; catalysts; modeling

(This special issue belongs to the Section Materials Chemistry)

Boron-Containing Compounds: Chemistry, Biological Functions, and Emerging Biomedical Applications

edited by

Ion Romulus Scorei

submission deadline 30 Jun 2026 | Viewed by 66 | Submission Open

Keywords: boron-containing compounds; organoboron chemistry; boron– carbohydrate complexes; boronated lipids; BNCT; boron essentiality; microbiota-accessible boron; boron-based therapeutics; boron prebiotic chemistry; molecular nutrition; membrane biology; carboranes

Featured Reviews in Bioorganic Chemistry

edited by

Maja Jazvinšćak Jembrek

submission deadline 30 Jun 2026 | Viewed by 65 | Submission Open

Keywords: bioorganic chemistry; enzyme inhibitors; biocatalysis; biosynthesis; immunochemical techniques; membrane chemistry; peptides chemistry

(This special issue belongs to the Section Bioorganic Chemistry)

Elemental Analysis and Determination for Food and Environmental Samples

edited by Kelly das Graças Fernandes Dantas and

João B. Pereira-Júnior

submission deadline 30 Jun 2026 | Viewed by 65 | Submission Open

Keywords: spectroanalytical techniques; mineral composition; sample preparation; essential elements; toxic elements; food safety; nutritional analysis; environmental monitoring

(This special issue belongs to the Section Analytical Chemistry)

Applications of Porous Organic Frameworks in Environmental Remediation

edited by

Peng Li

, Xingjie Wang and Kaikai Ma

submission deadline 30 Jun 2026 | Viewed by 63 | Submission Open

Keywords: porous organic frameworks (POFs); covalent organic frameworks (COFs); porous aromatic frameworks (PAFs); hydrogen-bonded organic frameworks (HOFs); environmental remediation; pollutant adsorption; catalytic degradation; gas capture and conversion; functional porous materials

(This special issue belongs to the Section Applied Chemistry)

Biological Properties of Terpenoids

edited by

Raphaël E. Duval

and

Youness Limami

submission deadline 30 Jun 2026 | Viewed by 63 | Submission Open

Keywords: terpenoids; biological activities; anticancer; anti-infectives; anti-inflammatory; antioxidant

(This special issue belongs to the Section Natural Products Chemistry)

Porous Materials: Synthetic Strategies and Applications, 2nd Edition

edited by

Mei Hong

submission deadline 30 Jun 2026 | Viewed by 63 | Submission Open

Keywords: porous materials; synthesis; metal– organic frameworks; zeolites; inorganic– organic hybrids; covalent organic frameworks

(This special issue belongs to the Section Materials Chemistry)

Organic Molecules: Molecular Structure, Photochemical Properties, and Computational Studies

edited by Jun Gao and

Shmuel Zilberg

submission deadline 30 Jun 2026 | Viewed by 62 | Submission Open

Keywords: organic photochemistry; excited-state dynamics; photoredox catalysis; singlet fission; energy and electron transfer; computational photochemistry; quantum chemical calculations; structure– property relationships; photofunctional materials

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Structure-Activity Relationships of Plant-Based Compounds

edited by Iwona Kowalska

submission deadline 30 Jun 2026 | Viewed by 62 | Submission Open

Keywords: natural products; structure– activity relationship; biological activity; chemical structure; plant compounds

(This special issue belongs to the Section Natural Products Chemistry)

Chemical Transformations and Analysis in Food: Nutrition, Flavor Compounds, and Microbiological Research

edited by

Zhijia Liu

Xuejiao Wang

and

Xingwei Wang

submission deadline 30 Jun 2026 | 1 articles | Viewed by 61 | Submission Open

Keywords: flavor compounds; fermented food; flavor formation; flavor compound production/synthesis

(This special issue belongs to the Section Food Chemistry)

Synthesis and Application of Porphyrin-Based Catalysts

edited by

Hai-yang Liu

submission deadline 30 Jun 2026 | Viewed by 60 | Submission Open

Keywords: porphyrin synthesis; catalysis; renewable energy; photocatalysis; electrocatalysis; homogeneous catalysis

(This special issue belongs to the Section Applied Chemistry)

Recent Advances in the Development of Innovative Anticancer Agents and Antitumor Strategies

edited by

Sebastiano Intagliata

Elisa Magli

and

Mariachiara Trapani

submission deadline 30 Jun 2026 | Viewed by 60 | Submission Open

Keywords: anticancer strategies; anticancer agents; drug design; drug development; chemical synthesis; small molecules; drug delivery; prodrugs; hybrid compounds; multitarget ligands; conjugate derivatives; polypharmacology; hybrid nanoassemblies; nanoparticles; supramolecular systems; theranostics

(This special issue belongs to the Section Medicinal Chemistry)

Charge Dynamics and Stability Engineering in Next-Generation Quantum Dots

edited by

Fatih Ungan

submission deadline 30 Jun 2026 | Viewed by 60 | Submission Open

Keywords: quantum dots; nanoparticles; surface chemistry; structure– property relations; stability

(This special issue belongs to the Section Physical Chemistry)

Sustainable Smart Coatings for Corrosion Protection

edited by Thiago Ferreira da Conceição

submission deadline 30 Jun 2026 | Viewed by 59 | Submission Open

Keywords: smart coatings; sustainable coatings; corrosion protection; biodegradable polymers; self-healing

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Supramolecular Photochemistry

edited by

Fausto Puntoriero

submission deadline 30 Jun 2026 | Viewed by 57 | Submission Open

Keywords: supramolecular photochemistry; supramolecular bioimaging; photoactive supramolecular assemblies; photocatalysis; aggregation-induced emission (AIE); energy and electron transfer; confined-space photochemistry; photoresponsive materials

(This special issue belongs to the Section Photochemistry)

Molecular Simulations of Energy Materials, 2nd Edition

edited by

Viorel Chihaia

and

Godehard Sutmann

submission deadline 30 Jun 2026 | Viewed by 55 | 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)

Chemical and Functional Characterization of Novel Plant Proteins

edited by

Joanna Miedzianka

submission deadline 30 Jun 2026 | Viewed by 55 | Submission Open

Keywords: novel plant proteins; chemical characterization; functional properties; protein structure– function relationships; extraction and modification techniques; techno-functional behavior; protein digestibility and bioactivity; sustainable protein sources

(This special issue belongs to the Section Food Chemistry)

Recent Advances of Anti-Infective Activity Compounds

edited by

Cauê Benito Scarim

and

Jean Leandro Dos Santos

submission deadline 30 Jun 2026 | Viewed by 53 | Submission Open

Keywords: anti-infective agents; medicinal chemistry; antimicrobial resistance; rational drug design; structure– activity relationship (SAR); ligand- and structure-based optimization; heterocyclic compounds; prodrugs; metal-based molecules; bioisosteric modification; hybrid molecules; synthetic methodologies; ADME profiling; PK/PD parameters; computational modeling

(This special issue belongs to the Section Medicinal Chemistry)

Magnetic Resonance Imaging: Development and Applications

edited by Yongming Dai

submission deadline 30 Jun 2026 | Viewed by 51 | Submission Open

Keywords: magnetic resonance imaging; lung function imaging; tumor microenvironment; quantitative MRI; ultra-high-field MRI; advanced diffusion/perfusion imaging; functional MRI; artificial intelligence

(This special issue belongs to the Section Medicinal Chemistry)

Molecular Design and Synthesis of Novel Energetic Compounds, 2nd Edition

edited by

Jianguo Zhang

submission deadline 30 Jun 2026 | Viewed by 49 | Submission Open

Keywords: energetic compounds; molecular design; synthesis; structure; performance; sensitivity

Analytical Techniques in Phytochemistry: From Metabolite Profiling to Structure Elucidation

edited by

Milen I. Georgiev

submission deadline 30 Jun 2026 | Viewed by 49 | Submission Open

Keywords: phytochemistry; metabolite profiling; structure elucidation; chromatography; spectroscopy; mass spectrometry; NMR spectroscopy; natural products; plant metabolites; analytical techniques; metabolomics; bioactive compounds

(This special issue belongs to the Section Analytical Chemistry)

Structure and Properties of Energetic Materials

edited by

Shiliang Huang

submission deadline 30 Jun 2026 | Viewed by 48 | Submission Open

Keywords: energetic molecules; crystal structures and crystal morphologies; nano/micro structures; energetic cocrystals; energetic MOFs and energetic metal complexes; energetic composites; thermal stability; sensitivity and detonation performance

(This special issue belongs to the Section Materials Chemistry)

Targeted Therapies: Design, Synthesis, and Biological Evaluation

edited by

Dimitra Hadjipavlou-Litina

, Amit Nathubhai and

Stephanie Myers

submission deadline 30 Jun 2026 | Viewed by 46 | Submission Open

Keywords: rational and/or structure-based design; organic synthesis; structure– activity relationships; lead optimization; biochemical analysis (assays); DMPK; targeted therapies— inhibitors against known target; prodrugs; receptors as targets

(This special issue belongs to the Section Medicinal Chemistry)

Overcoming Drug Resistance in Cancer: Molecular Mechanisms and Innovative Strategies

edited by

Brindusa Tiperciuc

submission deadline 30 Jun 2026 | Viewed by 44 | Submission Open

Keywords: cancer therapeutics; epigenetic regulation; adaptive signaling pathways; tumor microenvironment; cancer targeted therapy resistance; biomarkers

(This special issue belongs to the Section Medicinal Chemistry)

Design and Development of Antibacterial Molecules

edited by

Gildardo Rivera Sanchez

submission deadline 30 Jun 2026 | Viewed by 44 | Submission Open

Keywords: bioactive compounds; computer-aided drug design; synthesis and biological activity of small molecules; drug targets; drug repositioning

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Optoelectronic Functional Materials: From Fundamental Innovation to Cutting-Edge Applications

edited by Fuquan Bai

submission deadline 30 Jun 2026 | Viewed by 41 | Submission Open

Keywords: design; synthesis; characterization; application; theoretical; optoelectronic functional material; perovskite solar cell; 2D material; graphene; TMDs; heterostructure; photodetector; flexible electronics; sensor; quantum dot; LED

(This special issue belongs to the Section Materials Chemistry)

Advances in the Chemical Analysis of Prehistoric Materials

edited by

Federica Valentini

submission deadline 30 Jun 2026 | Viewed by 40 | Submission Open

Keywords: archaeological tools (resins; adhesives); chromatography (gas chromatography); infrared spectroscopy; nuclear magnetic resonance (NMR); archaeobotany; archaeology; terpenoids; sesquiterpenes; volatile organic compounds (VOCs)

(This special issue belongs to the Section Analytical Chemistry)

Development of Active Bio-Packaging Films for Food Industry with Natural Bioactive Compounds

edited by Renata Dobrucka

submission deadline 30 Jun 2026 | Viewed by 39 | Submission Open

Keywords: active packaging; natural compounds; biomaterials; biocomposites; natural polymers; polysaccharides; packaging materials

(This special issue belongs to the Section Materials Chemistry)

Materials Chemistry in China, 3rd Edition

edited by

Afang Zhang

Cun-Yue Guo

and

Xiaolei Sun

submission deadline 30 Jun 2026 | Viewed by 35 | Submission Open

Keywords: biomaterials; electronic materials; hydrogels; intelligent materials; polymer composites; supramolecular materials; energy materials

(This special issue belongs to the Section Materials Chemistry)

Supramolecular Gels: Structure-Property Correlation and Their Applications in Sensors and Environmental Remediation

edited by

Krishna K. Damodaran

submission deadline 30 Jun 2026 | Viewed by 29 | Submission Open

Keywords: design; structure– property correlation; dye removal; water remediation; sensors

(This special issue belongs to the Section Materials Chemistry)

Advances in Molecular Modeling in Chemistry, 3rd Edition

edited by

Heng Zhang

submission deadline 30 Jun 2026 | Viewed by 29 | Submission Open

Keywords: molecular modeling; applications; quantum chemistry calculation; molecular dynamic simulation; Monte Carlo simulation; combined experimental and simulation studies

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Ligands: Design, Syntheses, and Applications in Organometallic Catalysis

edited by

David Sémeril

submission deadline 30 Jun 2026 | Viewed by 29 | Submission Open

Keywords: ligand design; organometallic catalysis; green & sustainable chemistry; industrial catalysis; synthesis & applications

(This special issue belongs to the Section Organometallic Chemistry)

Displaying special issue 701-750 on page 15 of 22.

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