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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 Extraction Techniques for Elemental Analysis

edited by Ricardo Cassella

submission deadline 30 Apr 2026 | 2 articles | Viewed by 1629 | 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 1529 | 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 1416 | 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 1333 | 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 1323 | 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 1180 | 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)

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 1037 | 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 1015 | 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 837 | 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)

Advancements in Enzyme Immobilization Techniques

edited by

Benevides C. Pessela

and

Gloria Fernandez-Lorente

submission deadline 30 Apr 2026 | Viewed by 740 | 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 729 | 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)

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 725 | 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)

Plasmonic Metal Nanoparticles: From Synthesis to Major Applications

edited by

Vladimir V. Kitaev

submission deadline 30 Apr 2026 | 1 articles | Viewed by 678 | 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)

Hot Trends in Computational Drug Design

edited by

Agnieszka A. Kaczor

submission deadline 30 Apr 2026 | 1 articles | Viewed by 613 | 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

Advanced Nanomaterials for Electrocatalysis

edited by

Flávio Colmati

submission deadline 30 Apr 2026 | 1 articles | Viewed by 597 | 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)

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 581 | 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 523 | 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)

Foam and Emulsion Systems: Stability, Rheology, and Applications

edited by

Marcel Krzan

submission deadline 30 Apr 2026 | 1 articles | Viewed by 509 | Submission Open

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

Novel Catalysts for Asymmetric Synthesis

edited by

Renata Siedlecka

Mariola Zielińska-Błajet

and

Alejandro Baeza Carratalá

submission deadline 30 Apr 2026 | Viewed by 481 | 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 466 | 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 461 | 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 411 | 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 324 | 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 293 | 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)

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

edited by

Maria Novella Romanelli

submission deadline 30 Apr 2026 | Viewed by 255 | 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)

Chemical Design of Nanocomposite Materials for Enhanced Electrochemical Performance

edited by

Panpan Dong

and Xingxing Jiao

submission deadline 30 Apr 2026 | Viewed by 252 | Submission Open

Keywords: nanocomposite materials; electrochemical properties; lithium batteries; solid-state electrolytes; interfacial electrochemistry; ionic conductivity; electrode design; theoretical calculations

(This special issue belongs to the Section Electrochemistry)

Design, Synthesis and Biological Activity of Novel Antitumor Drugs, 2nd Edition

edited by

Alessia Bertamino

and

Tania Ciaglia

submission deadline 30 Apr 2026 | Viewed by 239 | Submission Open

Keywords: novel target; anticancer; small molecules; biological evaluation; synthesis; activity assay; molecular modeling

(This special issue belongs to the Section Medicinal Chemistry)

Research on Crystal Structures of Metal Complexes

edited by

Takashiro Akitsu

submission deadline 30 Apr 2026 | Viewed by 230 | Submission Open

Keywords: coordination chemistry; metal complexes; organic ligands; crystal structure analysis; structural chemistry

(This special issue belongs to the Section Inorganic Chemistry)

Novel Antiparasitic Molecules for Neglected Tropical Diseases

edited by

Carlos Monteiro

submission deadline 30 Apr 2026 | Viewed by 208 | Submission Open

Keywords: neglected tropical diseases; antiparasitic agents; drug design and discovery; structure– activity relationships; drug resistance

(This special issue belongs to the Section Medicinal Chemistry)

Computational and Experimental Research on Materials for Environmental Applications

edited by

Sanja J. Armakovic

, Stevan Armaković and

Maria M. Savanović

submission deadline 30 Apr 2026 | Viewed by 163 | Submission Open

Keywords: environmental materials; DFT and MD simulations; wavefunction-based calculations; computational modeling; machine learning in materials science; data-driven materials design; environmental remediation; pollutant removal; nanomaterials; composite materials; hybrid computational– experimental studies

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

Radiochemistry: Present Status and Future Perspectives

edited by Gregory P. Holmbeck and

Travis S. Grimes

submission deadline 30 Apr 2026 | Viewed by 158 | Submission Open

Keywords: actinides; isotope production; nuclear energy; nuclear medicine; radioisotopes; radiolysis; separations; waste management

(This special issue belongs to the Section Medicinal Chemistry)

Catalysis for Drug Discovery

edited by

Deyun Qian

submission deadline 30 Apr 2026 | Viewed by 150 | Submission Open

Keywords: organic synthesis; metal catalysis; organocatalysis; asymmetric catalysis; photocatalysis; electrocatalysis; drug discovery

(This special issue belongs to the Section Organic Chemistry)

Nanochemistry in Asia

edited by Lei Huang and

Feng Hu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 149 | Submission Open

Keywords: nanochemistry; nanomaterials; nanomedicine; nanotoxicity; nanocatalysis

(This special issue belongs to the Section Nanochemistry)

Advanced Analytical Methods in Food Chemistry

edited by

Grażyna Neunert

and Katarzyna Walkowiak

submission deadline 30 Apr 2026 | Viewed by 148 | Submission Open

Keywords: chromatography; mass spectrometry; spectroscopy techniques; food quality; food control; food adulteration; food allergens

(This special issue belongs to the Section Analytical Chemistry)

Pesticides in Food and Environment: Detection and Removal Using Chemical Technologies

edited by

Tamara Lazarevic-Pasti

submission deadline 30 Apr 2026 | Viewed by 131 | Submission Open

Keywords: pesticide detection; chemical remediation; advanced oxidation processes; adsorption technologies; green chemistry; functional materials; food and environmental safety; analytical methods

(This special issue belongs to the Section Analytical Chemistry)

Chemical Composition and Functional Properties of Food By-Products

edited by

Renata Różyło

submission deadline 30 Apr 2026 | Viewed by 129 | Submission Open

Keywords: food by-products; chemical composition; functional properties; antioxidant activity; sustainable food processing

(This special issue belongs to the Section Food Chemistry)

Chemical Mechanisms and Applications of Plasma Technology in Environmental and Biomedical Sciences

edited by

Dehui Xu

submission deadline 30 Apr 2026 | Viewed by 126 | Submission Open

Keywords: cold atmospheric plasma (CAP); environmental pollution; formaldehyde degradation; reactive oxygen species (ROS); reactive nitrogen species (RNS); cancer therapy; wound healing; plasma-induced apoptosis; advanced oxidation

(This special issue belongs to the Section Applied Chemistry)

Advances in Organic Materials for Energy, Optoelectronics, and Electronics

edited by

Tersilla Virgili

and

David Lidzey

submission deadline 30 Apr 2026 | Viewed by 125 | Submission Open

Keywords: organic semiconductors; perovskites; solar cells; LEDs; lasers; microcavities; photodetectors; optoelectronics

(This special issue belongs to the Section Applied Chemistry)

Antibacterial Agents from Natural Source, 3rd Edition

edited by

Carlos H. G. Martins

submission deadline 30 Apr 2026 | Viewed by 113 | Submission Open

Keywords: natural products; antibacterial activity; anti-virulence; bioactive molecules; mechanisms and applications; biological activity; drug development; antibacterial peptides

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

Bioengineered Peptides and Proteins as Potential Therapeutic Agents

edited by Rigini M. Papi

submission deadline 30 Apr 2026 | Viewed by 113 | Submission Open

Keywords: bioengineered peptides & proteins; therapeutic agents; synthetic biology; structure-function prediction; protein engineering; protein scaffolds; drug design; regenerative medicine

(This special issue belongs to the Section Bioorganic Chemistry)

Green Chemistry Strategies for Biomass Valorization

edited by

Filipa A. Vicente

and

Ilja Gasan Osojnik Črnivec

submission deadline 30 Apr 2026 | Viewed by 109 | Submission Open

Keywords: green chemistry; biomass valorization; green solvents; biocatalysis; sustainable processes; sustainability metrics

(This special issue belongs to the Section Green Chemistry)

Exploring the Modification of Nanocellulose: Strategies for Enhancing Properties and Expanding Applications

edited by

Micholas D. Smith

and

Shalini Jayaraman Rukmani

submission deadline 30 Apr 2026 | Viewed by 106 | Submission Open

Keywords: nanocellulose; cellulose-polymer composites; cellulose nanofibers (CNFs); cellulose nanocrystals (CNCs); cellulose processing; nanocellulose functionalization; TEMPO cellulose; surface modification; grafting; nanocellulose biosensors

(This special issue belongs to the Section Macromolecular Chemistry)

Advances in Selenium Catalysts and Antioxidants—2nd Edition

edited by Arai Kenta and

Michio Iwaoka

submission deadline 30 Apr 2026 | Viewed by 103 | 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)

Current Advances in Biodegradable Polymers

edited by Aurelio Ramírez-Hernández and Alejandro Aparicio-Saguilán

submission deadline 30 Apr 2026 | Viewed by 100 | Submission Open

Keywords: natural and synthetic polymers; biodegradation; synthesis; characterization; composites; nanomaterials; processing; environmental impact; molecular modeling

(This special issue belongs to the Section Materials Chemistry)

Nutritional Enhancement and Functional Innovation of Plant-Based Foods

edited by

Magdalena Zielińska-Dawidziak

Agnieszka Makowska

and

Przemysław Kowalczewski

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

Keywords: plant-based foods; plant product bioavailability; vegan diet; nutritional enhancement; functional innovation; protein fortification; sustainable nutrition

(This special issue belongs to the Section Food Chemistry)

Spectroscopic and Spectrometric Techniques for Structural Analysis, 2nd Edition

edited by

Nives Galić

and

David Klarić

submission deadline 30 Apr 2026 | Viewed by 98 | Submission Open

Keywords: NMR spectroscopy; mass spectrometry; vibrational spectroscopy; UV-Vis spectroscopy; spectrofluorimetry; EPR spectroscopy; structural analysis

(This special issue belongs to the Section Analytical Chemistry)

Near-Infrared Fluorescent Materials for Biological Imaging and Sensing

edited by Daliang Li and

Maged Henary

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

Keywords: near-infrared fluorescent materials; biological imaging; material design; biosensing; theranostics; disease diagnosis

(This special issue belongs to the Section Materials Chemistry)

Chemical Compositions and Bioactivities of Foods, 2nd Edition

edited by

Zhaojun Wei

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

Keywords: foods; phytochemicals; biophytochemicals; food bioactives; chemical compositions; functional foods; dietary supplements; medical foods; biological pathway; molecular mechanisms

(This special issue belongs to the Section Food Chemistry)

Multidisciplinary Approaches to Bioactive Natural Products: From Source to Application

edited by

Zhenxing Zou

and

Haibo Tan

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

Keywords: natural products; secondary metabolites; isolation and identification of natural products; structure– activity relationship; biological

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

Analytical Techniques for Environmental Contamination

edited by Shiming Song

submission deadline 30 Apr 2026 | Viewed by 90 | Submission Open

Keywords: environmental analytical chemistry; environmental monitoring; pollution control; pollution monitoring; green methodologies

(This special issue belongs to the Section Analytical Chemistry)

Displaying special issue 551-600 on page 12 of 24.

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