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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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Recent Advances in Porous Materials, 2nd Edition

edited by

Xinhua Qi

submission deadline 30 Apr 2026 | 4 articles | Viewed by 4834 | Submission Open

Keywords: porous carbon; adsorption; catalysis; supercapacitor; biomass; energy storage; zeolite; fuel cell; molecular sieves; metal– organic frameworks; porous metal oxide; mesoporous silicon; macroporous resin; aerogel; separation; porous composites; covalent organic frameworks

(This special issue belongs to the Section Materials Chemistry)

Chemical Analysis of Pollutant in the Environment

edited by

Ewa Szpyrka

and

Mohammad Russel

submission deadline 30 Apr 2026 | 5 articles | Viewed by 4577 | Submission Open

Keywords: inorganic and organic pollutants; persistent organic pollutants; heavy metals; nano- and microplastics; chemical methods; instrumental methods; validation

(This special issue belongs to the Section Green Chemistry)

Functional Materials for Chemical Sensing in Molecules

edited by

Yi Xia

Qiuni Zhao

and Ming Hou

submission deadline 30 Apr 2026 | 2 articles | Viewed by 4435 | Submission Open

Keywords: functional materials; sensing materials; nanomaterials; composites; design and synthesis; chemical sensing; gas sensors; humidity sensors; biosensors

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Transition Metal Catalysis, 2nd Edition

edited by Dingyi Wang

submission deadline 30 Apr 2026 | 3 articles | Viewed by 4232 | Submission Open

Keywords: transition metal catalysis; photocatalysis; electrosynthesis; organic synthesis; asymmetric synthesis; C-H functionalization; C-C functionalization; C-X functionalization

(This special issue belongs to the Section Organic Chemistry)

Innovative Approaches to Sustainable Wastewater Treatment—Recent Developments in Hazardous Pollutants Removal

edited by

Anna Wołowicz

and

Monika Wawrzkiewicz

submission deadline 30 Apr 2026 | 6 articles | Viewed by 4170 | Submission Open

Keywords: wastewater treatment; industrial wastewater; physical methods; chemical methods; biological methods; emerging micropollution; dyes; heavy metals; removal; (bio)sorbent; ion exchange resin

(This special issue belongs to the Section Green Chemistry)

Advance in Radiochemistry, 2nd Edition

edited by

Chang-Tong Yang

submission deadline 30 Apr 2026 | 4 articles | Viewed by 3997 | Submission Open

Keywords: radiochemistry; radionuclide (radioisotopes); radiolabeling; radiopharmaceutical (radiotracer); nuclear medicine; theranostics (diagnostics and therapeutics); molecular imaging

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Functional Membrane Materials: Fabrication and Applications

edited by

Heng Mao

submission deadline 30 Apr 2026 | 1 articles | Viewed by 3691 | Submission Open

Keywords: functional membrane material; nanochemistry; polymeric synthesis; molecular design; synthesis method; material processing; catalysis and separation

(This special issue belongs to the Section Applied Chemistry)

Advances and Opportunities of Natural Products in Drug Discovery

edited by

Daniel Pereira Bezerra

submission deadline 30 Apr 2026 | 5 articles | Viewed by 3683 | Submission Open

Keywords: natural products; drug discovery; pharmacological activity; biological activity; new compounds

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

Catalytic Materials for Energy and Environment: Preparation, Properties and Applications

edited by

Ana Paula Da Costa Ribeiro

and Yanfei Xu

submission deadline 30 Apr 2026 | 2 articles | Viewed by 3610 | Submission Open

Keywords: biomass conversion; CO2 hydrogenation; plastic degradation; alkane dehydrogenation; syngas conversion; methane reforming; catalysts for energy and environment; catalytic mechanism

(This special issue belongs to the Section Materials Chemistry)

Bee Product Chemistry: Identification and Characterization of Natural Compounds, 2nd Edition

edited by

Simona Sagona

submission deadline 30 Apr 2026 | 4 articles | Viewed by 3362 | Submission Open

Keywords: honey; wax; bee pollen; venom; propolis; royal jelly; bee larvae

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

Plant Metabolites: Isolation, Phytochemistry, and Biological Activities

edited by

Dagmara Wróbel-Biedrawa

, Karolina Grabowska and

Luca Rastrelli

submission deadline 30 Apr 2026 | 3 articles | Viewed by 2852 | Submission Open

Keywords: isolation; plant metabolites; plant extracts; medicinal plants; biological activity assessment

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

Exploring the Therapeutic Potential of Peptides in Anti-Cancer Treatments

edited by

Anna Lucia Tornesello

and

Giancarlo Morelli

submission deadline 30 Apr 2026 | 2 articles | Viewed by 2837 | Submission Open

Keywords: anticancer peptides; antimicrobial peptides; cell-penetrating peptides; therapeutic peptides; cancer vaccine; theranostics; peptidomimetics; anticancer drugs; metal– peptide drugs

(This special issue belongs to the Section Medicinal Chemistry)

Back to Nature: Pharmacological Activities of Phytochemicals Isolated from Medicinal Plants

edited by

Arik Dahan

and Ludmila Yarmolinsky

submission deadline 30 Apr 2026 | 2 articles | Viewed by 2769 | Submission Open

Keywords: medicinal plant; pharmacological activity; phytochemical; disease; drug; therapeutic; polyphenol; terpene; carotenoid; saponin; alkaloid; thiophene; sugar; fatty oil; resin; phytosterol; protein; peptide; anti-inflammatory; antidiabetic; neuroprotective; anticancer; antioxidative; antimicrobial; antiviral; antifungal

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

Chemical Biology in Asia—Second Edition

edited by

Yujun Zhao

and

Li Wu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 2651 | Submission Open

Keywords: chemical biology; drug discovery; bioorganic chemistry; enzymology; synthetic biology; analytical tools

(This special issue belongs to the Section Chemical Biology)

Supramolecular Host/Guest Compounds and Their Prospects for Multifunctional Materials

edited by Angela Danil De Namor and Nawal Al Hakawati

submission deadline 30 Apr 2026 | 1 articles | Viewed by 2363 | Submission Open

Keywords: supramolecular chemistry; host-guest chemistry; macrocycles and cages; self-assembly; supramolecular materials

(This special issue belongs to the Section Macromolecular Chemistry)

A Themed Issue in Honor of the 20th Anniversary of the Mexican Academy of Organic Chemistry (AMQO)

edited by Ivan Romero-Estudillo,

Mario Orodnez

, Alicia Boto and

David Chávez-Flores

submission deadline 30 Apr 2026 | 3 articles | Viewed by 2169 | Submission Open

Keywords: organic chemistry; chemistry process; chemistry; chemical science; science in Mexico

(This special issue belongs to the Section Organic Chemistry)

Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition

edited by Spyridon Petropoulos

submission deadline 30 Apr 2026 | 2 articles | Viewed by 2043 | Submission Open

Keywords: wild edible species; bioactive properties; polyphenols; antioxidant activity; antimicrobial properties; carotenoids; vitamins

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

Advances in Electrochemical Reactions, Mechanisms and Sensing Applications

edited by

Angel A. J. Torriero

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1911 | Submission Open

Keywords: electrochemical reactions; reaction mechanisms; electrocatalysis; electrochemical sensing; organic and organometallic compounds; analytical electrochemistry

(This special issue belongs to the Section Electrochemistry)

Re-Valorization of Waste and Food Co-Products

edited by

Adriana Dabija

and

Ancuța Chetrariu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1842 | Submission Open

Keywords: by-products; valorization; reutilization; zero waste; application of functional ingredients; circular economy

(This special issue belongs to the Section Green Chemistry)

Natural Products Chemistry in Asia

edited by

Shao-Hua Wang

and

Wenhan Lin

submission deadline 30 Apr 2026 | 3 articles | Viewed by 1812 | Submission Open

Keywords: isolation protocol; structure elucidation; synthesis; biosynthesis; bioactivity; chemical ecology

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

Biopolymers for Drug Delivery Systems

edited by

Ildikó Katalin Bácskay

and Petra Arany

submission deadline 30 Apr 2026 | 3 articles | Viewed by 1723 | Submission Open

Keywords: drug delivery systems; biopolymers; personalized medication; nanoparticle; hydrogel; 3D printing

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis, Bioactivity and Structure–Activity Relationship of Natural Products and Their Derivatives

edited by Jelena R. Đorović Jovanović and

Jelena S. Katanic Stankovic

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1697 | Submission Open

Keywords: natural products; structure– activity relationship (SAR); semi-synthetic derivatives; bioactivity; drug discovery; therapeutic potential; pharmaceutical innovation; bioactive compound modification

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

Design and Synthesis of Novel Adsorbents for Pollutant Removal, 2nd Edition

edited by

Inna V. Melnyk

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1678 | Submission Open

Keywords: wastewater treatment; adsorbents; sustainable materials; adsorption mechanisms; surface chemistry; selective adsorption

(This special issue belongs to the Section Physical Chemistry)

Recent Advances in Extraction Techniques for Elemental Analysis

edited by Ricardo Cassella

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1644 | Submission Open

Keywords: sample preparation; microextraction; liquid— liquid extraction; solid-phase extraction; elemental analysis

(This special issue belongs to the Section Analytical Chemistry)

Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds—2nd Edition

edited by

Renato Emanuel Felix Boto

and

Samuel Martins Silvestre

submission deadline 30 Apr 2026 | 3 articles | Viewed by 1625 | Submission Open

Keywords: bioactive compounds; design; synthesis; biological evaluation; in silico evaluation; in vitro evaluation; in vivo evaluation

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Analysis of Organic Contaminants and Microplastics

edited by

João Pinto da Costa

and

Teresa A. P. Rocha-Santos

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1434 | Submission Open

Keywords: environment and food; instrumentation; plastic– organic contaminants interactions; life-cycle assessment; (eco)toxicity

(This special issue belongs to the Section Analytical Chemistry)

Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects

edited by

Elizabeth Opara

and Samireh Jorfi

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1346 | Submission Open

Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits

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

Ligand-Based Design and Optimization of Antibacterial Agents: From Structure to Activity

edited by

Cleydson Breno Rodrigues dos Santos

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1338 | Submission Open

Keywords: ligand-based drug design (LBDD); antibacterial agents; quantitative structure– activity relationship (QSAR); pharmacophore modeling; virtual screening; cheminformatics; molecular optimization

(This special issue belongs to the Section Medicinal Chemistry)

Innovative Strategies for the Extraction, Processing, and Encapsulation of Food Bioactive Compounds

edited by

Adem Gharsallaoui

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1204 | Submission Open

Keywords: bioactive compounds; extraction techniques; green and sustainable approaches; processing technologies; encapsulation systems; stability and bioavailability; food chemistry and nanotechnology; functional food applications

(This special issue belongs to the Section Food Chemistry)

Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition

edited by

Maja Jukić Špika

and Barbara Soldo

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1175 | 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)

Functional Nanomaterials in Green Chemistry: Catalysis and Environmental Remediation

edited by

Carlos Bruno Barreto Luna

Zhaohui Liu

and Ingridy Dayane dos Santos Silva

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1063 | Submission Open

Keywords: functional nanomaterials; green chemistry; nanocatalysis; environmental catalysts; environmental remediation; biomass conversion; heterogeneous catalysis

(This special issue belongs to the Section Green Chemistry)

Pharmacological Bioassays of Secondary Metabolites of Medicinal Plants

edited by

José L. Martínez

and

Luigi Milella

submission deadline 30 Apr 2026 | 1 articles | Viewed by 1038 | Submission Open

Keywords: pharmacology of medicinal plants; pharmacology of natural products; medicinal plants; mechanisms of action (cardiovascular; nervous system; digestive; etc.); active principles in diseases (Parkinson's; cancer; ulcers; etc.); isolation and bioassays of medicinal plant extracts

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

Photoelectrochemical Properties of Nanostructured Thin Films

edited by

Sadaf Bashir Khan

, Zheng Xie and Xiaofeng Zhao

submission deadline 30 Apr 2026 | 1 articles | Viewed by 858 | Submission Open

Keywords: photoelectrochemical water splitting; CO2 reduction; photocatalysis; surface engineering; co-catalyst integration; sustainable energy conversion; thin-film heterojunctions; advanced functional nanomaterials

(This special issue belongs to the Section Photochemistry)

Novel Food Processing Technologies and Their Effects on Bioactive Components in Foods

edited by

Mansheng Wang

and Xiao Wang

submission deadline 30 Apr 2026 | 1 articles | Viewed by 745 | Submission Open

Keywords: food processing technologies; bioactive constituents; nutrient retention; functional foods; bioavailability; non-thermal processing; sustainable processing; in vitro digestion models; metabolomics

(This special issue belongs to the Section Food Chemistry)

Advancements in Enzyme Immobilization Techniques

edited by

Benevides C. Pessela

and

Gloria Fernandez-Lorente

submission deadline 30 Apr 2026 | Viewed by 745 | Submission Open

Keywords: enzyme immobilization; biocatalysis; enzyme stabilization; reusability/recyclability; activity retention; operational stability; mass transfer limitation

(This special issue belongs to the Section Applied Chemistry)

Solid Waste and Fly Ash Chemical Treatment Methods—2nd Edition

edited by

Lu Dong

Xinye Wang

and Huimin Liu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 741 | Submission Open

Keywords: solid waste; fly ash; chemical treatment; waste management; thermal treatment; resource recovery; waste-to-energy; environmental chemistry

(This special issue belongs to the Section Green Chemistry)

Plasmonic Metal Nanoparticles: From Synthesis to Major Applications

edited by

Vladimir V. Kitaev

submission deadline 30 Apr 2026 | 1 articles | Viewed by 729 | Submission Open

Keywords: metal nanoparticles and nanoclusters; plasmonic metal nanoparticles; metal nanocomposites; shape-selected synthesis; size-selected synthesis; functional properties; high-resolution electron microscopy; surface plasmon resonance; interfacial properties; surface modification; catalysis; plasmonics; surface-enhanced Raman scattering; biomedical sensing; environmental sensing

(This special issue belongs to the Section Physical Chemistry)

Advanced Nanomaterials for Electrocatalysis

edited by

Flávio Colmati

submission deadline 30 Apr 2026 | 1 articles | Viewed by 687 | Submission Open

Keywords: water spitting; HER; OER; AOP; fuel cell; alcohol oxidation; energy conversion; electrocatalysis

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

Hot Trends in Computational Drug Design

edited by

Agnieszka A. Kaczor

submission deadline 30 Apr 2026 | 1 articles | Viewed by 663 | Submission Open

Keywords: AI in drug discovery; cheminformatics; computational drug design; machine learning; molecular docking; molecular dynamics simulations; molecular modeling; pharmacophore; QSAR; structure-based design; virtual screening

Foam and Emulsion Systems: Stability, Rheology, and Applications

edited by

Marcel Krzan

submission deadline 30 Apr 2026 | 1 articles | Viewed by 607 | Submission Open

Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications

Organic and Inorganic Luminescent Materials, 3rd Edition

edited by

Liang Zhou

, Dan Zou and Xibao Zhang

submission deadline 30 Apr 2026 | 1 articles | Viewed by 602 | Submission Open

Keywords: luminescent; material; organic; inorganic; OLED; organic light-emitting diode; carbon dot; perovskite; aggregation-induced emission; AIE; thermally activated delayed fluorescence emitter; TADF; mechanism; design; application; process; display; lighting; detection; monitoring

(This special issue belongs to the Section Applied Chemistry)

Molecular Dynamics Simulations: Applications and Advances

edited by

Viorel Chihaia

and Godehard Sutmann

submission deadline 30 Apr 2026 | 1 articles | Viewed by 562 | Submission Open

Keywords: force fields and interaction models; ab initio molecular dynamics for ground and excited states: adiabatic and non-adiabatic approaches; adaptive potentials and hybrid interactions; enhanced sampling techniques; free energy calculations and related methods; hybrid and multiscale modeling; integrators and thermostat/barostat algorithms; machine learning and AI in molecular dynamics; applications of MD in life sciences; materials; and energy; system preparation and velocity assignment; trajectory; structural; kinetic; and dynamic analysis; hardware acceleration; parallelization; and software development

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

Novel Catalysts for Asymmetric Synthesis

edited by

Renata Siedlecka

Mariola Zielińska-Błajet

and

Alejandro Baeza Carratalá

submission deadline 30 Apr 2026 | Viewed by 491 | Submission Open

Keywords: chiral ligands; organometallic complexes; organocatalysts; enantioselectivity; asymmetric induction; catalysis

(This special issue belongs to the Section Organic Chemistry)

Synthesis of Bioactive Compounds: Spectroscopic, Crystallographic and Computational Studies

edited by

Juan Castillo

and Diana Becerra Córdoba

submission deadline 30 Apr 2026 | Viewed by 468 | Submission Open

Keywords: medicinal chemistry; organic chemistry; analytical chemistry; heterocyclic compounds; spectroscopic analysis; crystal structure; biological activity; computational analyses

(This special issue belongs to the Section Medicinal Chemistry)

C-H Bond Functionalization of Heterocyclic Compounds

edited by

Dong Wang

submission deadline 30 Apr 2026 | Viewed by 467 | Submission Open

Keywords: heterocycles; C-H activation; transition metal catalysis; site-selectivity; sustainable synthesis; photoredox chemistry; electrochemical functionalization; biologically active molecules

(This special issue belongs to the Section Organic Chemistry)

Conjugated Polymer-Based Materials: Synthesis, Characterization, and Applications

edited by

Bruno Schmaltz

and Nicolas Berton

submission deadline 30 Apr 2026 | Viewed by 417 | Submission Open

Keywords: conjugated polymers; synthesis; characterization; functional π -conjugated materials; conducting materials; organic electronics; organic electrode materials

(This special issue belongs to the Section Materials Chemistry)

New Perspective on Polysaccharides: From Isolation to Biological Evaluation

edited by

Peng Lei

and Zhiqiang Xiong

submission deadline 30 Apr 2026 | Viewed by 326 | Submission Open

Keywords: extraction methodology; separation technology; bioactivities; biological evaluation; polysaccharides

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

Advances in Modeling and Simulation of Biomolecules

edited by

Haiyang Zhang

submission deadline 30 Apr 2026 | Viewed by 296 | Submission Open

Keywords: molecular dynamics simulations; model parameterization; protein structure and function; protein– ligand interactions; computer-aided drug design; biomolecular association and assembly

(This special issue belongs to the Section Physical Chemistry)

Nanochemistry in Asia

edited by Lei Huang and

Feng Hu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 277 | Submission Open

Keywords: nanochemistry; nanomaterials; nanomedicine; nanotoxicity; nanocatalysis

(This special issue belongs to the Section Nanochemistry)

Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications, 2nd Edition

edited by

Maria Novella Romanelli

submission deadline 30 Apr 2026 | Viewed by 262 | 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)

Displaying special issue 501-550 on page 11 of 24.

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