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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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Heterocyclic Compounds: Design, Synthesis and Pharmacological Activity

edited by

Luciana Machado Ramos

and Aleksandar Pashev

submission deadline 31 Jul 2026 | 1 articles | Viewed by 966 | Submission Open

Keywords: heterocyclic compounds; drug design; multicomponent reactions; green chemistry; pharmacological activity; medicinal chemistry

(This special issue belongs to the Section Organic Chemistry)

Plant Phenolics: Extraction, Profiling, Properties and Applications

edited by

Lina Raudonė

submission deadline 31 Jul 2026 | 1 articles | Viewed by 901 | Submission Open

Keywords: plant; phenolic; extraction; purification; profiling; property; application; analytical characterization; functional evaluation; metabolomics; chemometric; antioxidant; antimicrobial, anti-inflammatory, bioactivity; food preservation; nutraceutical; pharmaceutical, biomaterial, sustainability; plant material

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

Chemical Research on Advanced Nanomaterials for Promoting Sustainability

edited by

Ajay Kumar Mishra

submission deadline 31 Jul 2026 | 1 articles | Viewed by 803 | Submission Open

Keywords: nanomaterials; photocatalysis; adsorption; biodegradability; sustainability

(This special issue belongs to the Section Green Chemistry)

Advances in Glycoconjugates: Chemistry and Chemical Biology—2nd Edition

edited by

Patrick M. Martin

submission deadline 31 Jul 2026 | 1 articles | Viewed by 721 | Submission Open

Keywords: extraction; characterization; analysis; glycolipids; glycopeptides; glycoproteins; oligosaccharides; chemo-enzymatic modification/synthesis/green synthesis; glycosylation; glycodendrimers; glycomimetics; glycosyltransferases; amphiphiles; bio-control; food applications; cosmetic applications; biological applications; biomedical applications; biomaterials; drug-targeting systems; remediation

(This special issue belongs to the Section Chemical Biology)

Analytical Techniques for Biochemical Applications: Advancing Precision in Molecular Research

edited by

Joško Osredkar

submission deadline 31 Jul 2026 | 1 articles | Viewed by 655 | Submission Open

Keywords: analytical; analysis; biochemical; biomolecule; characterize; biomarker; quantify; therapeutic target; validate; mass spectrometry; chromatographic; spectroscopic; hyphenated; biochemical phenomena; trace element; metabolite profiling; protein characterization; biomarker discovery; separation; detection; bioanalytical method; omics approach; immunoassay; affinity-based technique; biological matrix; pharmaceutical biochemistry; nutritional biochemistry

(This special issue belongs to the Section Analytical Chemistry)

Visible Light Active Photocatalysts for Organic Synthesis

edited by Wentao Xu and

Rosamaria Pennisi

submission deadline 31 Jul 2026 | Viewed by 637 | Submission Open

Keywords: organic chemistry; photocatalyst; synthesis; radical; single-electron transfer; atom transfer; energy transfer

(This special issue belongs to the Section Organic Chemistry)

Carotenoids and Their Derivatives: Extraction, Characterization, and Applications

edited by

Gabriela Rapeanu

Claudia Inés Victoria-Campos

and

Braulio Cervantes-Paz

submission deadline 31 Jul 2026 | Viewed by 533 | Submission Open

Keywords: carotenoids; carotenoid derivatives; green extraction technologies; analytical characterization; bioaccessibility; bioavailability; encapsulation and delivery systems; functional foods

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

Complexes as Tool for Design and Synthesis of Species with Biological Application

edited by

Rodica Olar

submission deadline 31 Jul 2026 | Viewed by 531 | Submission Open

Keywords: metal complex; resistance; biofilm; antitumor; carrier; target biomolecule; drug design; hybrid material

(This special issue belongs to the Section Medicinal Chemistry)

Analytical Studies of Bioactive Natural Products in Food

edited by

Constantinos Tsiafoulis

submission deadline 31 Jul 2026 | Viewed by 514 | Submission Open

Keywords: natural products; bioactive compound; food chemistry; spectroscopic analysis; analytical chemistry

(This special issue belongs to the Section Food Chemistry)

Discovery and Structure Optimization of Antibacterial Natural Products

edited by

Yong Guo

submission deadline 31 Jul 2026 | Viewed by 462 | Submission Open

Keywords: natural products; structure optimization; antibiotic discovery; antibacterial activity; scaffold diversity

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

Essential Oils in Human Health—2nd Edition

edited by

Giulia Vanti

and

Ekaterina-Michaela Tomou

submission deadline 31 Jul 2026 | Viewed by 430 | Submission Open

Keywords: essential oils; extraction; characterization; composition; biological properties

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

Applied Surface Chemistry and Functionality

edited by Chaolang Chen

submission deadline 31 Jul 2026 | Viewed by 430 | Submission Open

Keywords: applied surface chemistry and functionality; surface functionalization and treatment techniques; industrial and biomedical applications; hydrophobicity/hydrophilicity, heat transfer enhancement, and biocompatibility; medical devices, flexible sensing, and multifunctional surface engineering

(This special issue belongs to the Section Applied Chemistry)

Synthesis and Applications of Porous Materials as Catalysts and Adsorbents

edited by

Xiaohai Zheng

and Mengmeng Wu

submission deadline 31 Jul 2026 | Viewed by 416 | Submission Open

Keywords: porous materials; metal oxides; carbon materials; adsorbents; CO2 conversion; photocatalysis; thermal catalysis

(This special issue belongs to the Section Materials Chemistry)

Natural Products Synthesis: From Carbohydrate Building Blocks to Bioactive Conjugates

edited by

Sarah Mazzotta

and

Giuseppe D'Orazio

submission deadline 31 Jul 2026 | Viewed by 369 | Submission Open

Keywords: carbohydrate synthesis; glycosides; polysaccharides; synthetic chemistry; biological activities; glycomimetics; glycoderivatives

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

Chemical, Biological and Preclinical Aspects of Cannabis and Cannabinoids

edited by

Gioacchino Calapai

submission deadline 31 Jul 2026 | Viewed by 357 | Submission Open

Keywords: cannabis; cannabinoids; endocannabinoids; cannabinoid receptors; endocannabinoid system; phytocannabinoids; cannabidiol; tetrahydrocannabinol; endocannabinoidome

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

Photocatalysts for Hydrogen Production and CO₂ Reduction

edited by

Lei Ran

and

Francis Verpoort

submission deadline 31 Jul 2026 | Viewed by 345 | Submission Open

Keywords: photocatalysis; hydrogen production; CO2 reduction; advanced characterization; theoretical calculations; mechanism exploration

(This special issue belongs to the Section Green Chemistry)

Heterocyclic Compounds and Their Metal Complexes as Potential Anticancer Drugs

edited by

Nevenka N. Gligorijević

submission deadline 31 Jul 2026 | Viewed by 339 | Submission Open

Keywords: heterocyclic metal complexes; in vitro activity; anticancer activity; cell cycle; apoptosis; 3D cell culture

(This special issue belongs to the Section Medicinal Chemistry)

Innovations in Mass Spectrometry for Analytical Chemistry

edited by Claudia S. Maier and Stanislau Stanisheuski

submission deadline 31 Jul 2026 | Viewed by 330 | Submission Open

Keywords: novel ionization techniques and ion sources; advances in mass analyzers and detectors; integration with chromatographic/electrophoretic separations; ion-mobility and other types of gas-phase separations; novel targeted and untargeted data acquisition strategies; single-cell and spatial MS; functional omics; innovations in data analysis, algorithm development, statistics, and bioinformatics

(This special issue belongs to the Section Analytical Chemistry)

Synthesis and Application of Nanomaterials for Bio-Based and Environmental Pollution Molecules Detection and Purification

edited by

Harshica Fernando

and Gina M. Chiarella

submission deadline 31 Jul 2026 | Viewed by 326 | Submission Open

Keywords: nano-enabled environmental cleanup; sustainable nanotechnology; toxic ion sequestration; environmental remediation; nano compound synthesis; green, eco-friendly nanomaterials as catalysis; water, food, and soil safety

(This special issue belongs to the Section Nanochemistry)

Beauty Science for a Sustainable Future: Green Technologies in Cosmetics

edited by Claudinéia Aparecida Sales De Oliveira Pinto

submission deadline 31 Jul 2026 | Viewed by 319 | Submission Open

Keywords: green technologies; eco-friendly extraction; natural products; renewable raw materials; biodegradable formulations

(This special issue belongs to the Section Green Chemistry)

Recent Advances in Functionalized Nanomaterials: Design, Synthesis, Characterization, and Application—2nd Edition

edited by

Siyi Cheng

submission deadline 31 Jul 2026 | Viewed by 316 | Submission Open

Keywords: functionalized nanomaterials; functionalized strategies; compositions; nanostructures; energy storage; sensing; environmental remediation; catalytic

(This special issue belongs to the Section Nanochemistry)

Photocatalytic Nanocomposites: Design, Mechanisms and Applications

edited by Ramona-Crina Suciu

submission deadline 31 Jul 2026 | Viewed by 312 | Submission Open

Keywords: photocatalytic; nanocomposites; matrix; reinforcement; nanomaterials

(This special issue belongs to the Section Nanochemistry)

Antioxidant and Anti-Inflammatory Activities of Plant Extracts

edited by

Luis Apaza Ticona

submission deadline 31 Jul 2026 | Viewed by 299 | 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)

Electrochemical Reduction of CO₂

edited by

Krishnamoorthy Sathiyan

and Toshiaki Taniike

submission deadline 31 Jul 2026 | Viewed by 294 | Submission Open

Keywords: material science; electrocatalysis; catalyst design; CO2 reduction; C–C coupling; reaction mechanism; carbon recycling; value-added chemicals

(This special issue belongs to the Section Electrochemistry)

Computational Photochemistry: Challenges and Possibilities

edited by

Yuehui Li

submission deadline 31 Jul 2026 | Viewed by 281 | Submission Open

Keywords: computational photochemistry; quantum mechanical methods; excited state; environmental photocatalysis; photodynamic therapy; photocatalytic water splitting; CO2 photoreduction; photochemical transformation of small molecules; mechanisms of luminescent materials

(This special issue belongs to the Section Photochemistry)

Conformational Analysis of Organic Compounds and Biomolecules

edited by Clément Denhez and Hassan Khartabil

submission deadline 31 Jul 2026 | Viewed by 276 | Submission Open

Keywords: molecular dynamics; steric strain; protein folding; binding affinity; rotational barriers; molecular recognition; computational modeling; drug design; conformational sampling; energetic landscapes

(This special issue belongs to the Section Molecular Structure)

Advances in Natural Antimicrobial Compounds

edited by Xiaochen Chen

submission deadline 31 Jul 2026 | Viewed by 273 | 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)

Designed Multiple Ligands in Drug Design and Development-Second Edition

edited by

Rosanna Maccari

submission deadline 31 Jul 2026 | Viewed by 268 | Submission Open

Keywords: multitarget ligands; drug design; lead generation; lead optimization; hybrid compounds; chemical synthesis; biological screenings; structure–activity relationships; drug discovery

(This special issue belongs to the Section Medicinal Chemistry)

Sustainable Solvents and Green Extraction Techniques for Natural Products

edited by Elena Gómez and

Begoña González

submission deadline 31 Jul 2026 | Viewed by 252 | Submission Open

Keywords: sustainable solvents; bioactive compounds; green extraction; natural products; solvent innovation; microwave-assisted extraction; ultrasound-assisted extraction; natural deep eutectic solvents

(This special issue belongs to the Section Green Chemistry)

DNA Nanostructures and Biomedicine

edited by

Yinan Zhang

and

Alexander Kotlyar

submission deadline 31 Jul 2026 | Viewed by 250 | Submission Open

Keywords: DNA nanostructures; biomedicine; drug delivery; biosensing; nucleic acid drugs

(This special issue belongs to the Section Medicinal Chemistry)

Radiation, Environment and Health: Analysis of Natural Product Protective Agents

edited by

Mirjana Đurasević

submission deadline 31 Jul 2026 | Viewed by 242 | Submission Open

Keywords: radiation protection; radiation contamination; human health; environment; natural radioprotective agents; bioindicators

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

Composite Porous Materials in Catalysis, 2nd Edition

edited by

Hristiyan A. Aleksandrov

and

Margarita D. Popova

submission deadline 31 Jul 2026 | Viewed by 241 | Submission Open

Keywords: modified mesoporous silicas; hierarchical zeolites; nanosized metal oxides; biomass valorization; CO2 capture and utilization; environmental processes (VOC oxidation and water purification); modeling of zeolites

(This special issue belongs to the Section Materials Chemistry)

Removal of Micro- and Nanoplastics from Water

edited by

Xianhua Liu

submission deadline 31 Jul 2026 | Viewed by 227 | Submission Open

Keywords: microplastics; nanoplastics; water purification; adsorption; photocatalysis; membrane filtration; biodegradation; electrochemical removal; environmental remediation; sustainable materials

(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 31 Jul 2026 | Viewed by 227 | 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)

Low-Dimensional Materials: From Synthesis to Application

edited by Fatih Ersan

submission deadline 31 Jul 2026 | Viewed by 221 | Submission Open

Keywords: two-dimensional materials; nanoparticles; thin films; graphene; synthesis; characterization; optoelectronics; energy storage; catalysis

(This special issue belongs to the Section Materials Chemistry)

Nanoscale Modulation of Cellular Signaling for Diagnostics and Targeted Therapy

edited by Jung Hyun Lee

submission deadline 31 Jul 2026 | Viewed by 214 | 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)

Microbial Secondary Metabolites: Biosynthesis, Regulation and Applications

edited by Fernanda Oliveira das Chagas, Vincent Bielinski and Ricardo M. Borges

submission deadline 31 Jul 2026 | Viewed by 181 | Submission Open

Keywords: microbial secondary metabolites; biosynthetic gene clusters (BGCs); metabolomics; synthetic biology; metabolic engineering; natural product discovery; metabolic regulation; antibiotics and bioactive compounds; microbial ecology; biotechnological applications

(This special issue belongs to the Section Chemical Biology)

Multiscale Insights into Dielectric Materials: From Molecular Design to Electrical Performance

edited by

Shangshi Huang

Xiaoxiao Kong

and

Wenyu Ye

submission deadline 1 Aug 2026 | 1 articles | Viewed by 889 | Submission Open

Keywords: dielectric materials; molecular design; multiscale modeling; structure–property relationships; electrical performance; polymer dielectrics; energy storage; computational materials science

(This special issue belongs to the Section Materials Chemistry)

Design, Preparation, and Applications of Functional Hybrid Nanocomposites Containing Polymers

edited by

Simona Căprărescu

submission deadline 1 Aug 2026 | Viewed by 422 | Submission Open

Keywords: advanced nanocomposites; nano-hybrids; polymer composites; innovative methods; multifunctional coatings; characterisation; applications

(This special issue belongs to the Section Materials Chemistry)

Rational Design and Mechanistic Insights of Functional Photoelectrocatalytic Materials

edited by Zhi Zhu and Yongsheng Yan

submission deadline 1 Aug 2026 | Viewed by 308 | Submission Open

Keywords: photo/electrocatalysis; catalytic materials; biomass conversion; CO2 reduction

(This special issue belongs to the Section Materials Chemistry)

Chromatography and Spectroscopy in Food, Environmental, and Pharmaceutical Sciences

edited by

Antonella Maria Aresta

and Alessia Di Gilio

submission deadline 6 Aug 2026 | 3 articles | Viewed by 2670 | Submission Open

Keywords: chromatographic techniques; phytochemicals; pollutants; mass spectrometry; functional foods; extraction techniques; biological assays; pollutant abatement; nutraceuticals or additives

(This special issue belongs to the Section Analytical Chemistry)

Exclusive Feature Papers in Natural Products Chemistry, 3rd Edition

edited by

David Barker

and

Francesco Cacciola

submission deadline 15 Aug 2026 | 4 articles | Viewed by 5508 | Submission Open

Keywords: natural products; plant secondary metabolism; phytochemical analysis; nutrients and bioactive compounds; bioaccessibility and bioavailability; antioxidant; anti-inflammatory; anticancer

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

Current Topics and Applications of Chiral Auxiliaries

edited by Shawn Raynard Hitchcock

submission deadline 15 Aug 2026 | Viewed by 370 | Submission Open

Keywords: chiral auxiliary; asymmetric synthesis; diastereoselection; organic synthesis; stereochemistry; chiral control

(This special issue belongs to the Section Organic Chemistry)

Chromatographic Characterization of Food Using Analytical Methods

edited by

Hongyan Bi

submission deadline 15 Aug 2026 | Viewed by 333 | Submission Open

Keywords: food analysis; chromatography; gas chromatography; high-performance liquid chromatography (HPLC); sample preparation (SPE, SPME, derivatization); mass spectrometry; chemometrics; food authenticity and adulteration; green analytical chemistry; artificial intelligence

(This special issue belongs to the Section Food Chemistry)

Emerging Research in Perovskite Solar Cells

edited by

Karthick Sekar

and

Latha Marasamy

submission deadline 15 Aug 2026 | Viewed by 249 | Submission Open

Keywords: perovskite thin films; rigid and flexible perovskite solar cells; 2D/3D, Pb-free, Sn-based, and low/wide-bandgap perovskites; advanced characterization techniques for perovskite materials, thin films, and solar cells; single and tandem perovskite solar cells; synthesis of low-cost and efficient ETLs, HTLs, and electrodes for perovskite devices; chemical approaches for perovskite solar cell stability and reproducibility issues; chemical passivation, surface chemistry, and interface engineering strategies; novel device architectures, device physics, and commercialization aspects; modeling/simulations (DFT, MD, AMPS-1D, Gpvdm, Setfos, SilVACO TCAD, SCAPS-1D, etc.).

(This special issue belongs to the Section Materials Chemistry)

Next-Generation Nanomaterials for Water Treatment: From Design to Application

edited by Haisheng Tao

submission deadline 15 Aug 2026 | Viewed by 232 | Submission Open

Keywords: rational design; characterization; structure-property relationship; functional nanomaterials; contaminant removal; water purification

(This special issue belongs to the Section Materials Chemistry)

Advances in Physical Chemistry: From Theory to Applications

edited by

Khashayar Ghandi

submission deadline 15 Aug 2026 | Viewed by 207 | Submission Open

Keywords: electronic-structure theory; ultrafast spectroscopy; AI-driven modelling; energy-carrier dynamics; machine learning; medical physical chemistry; commercialization of physical chemistry

(This special issue belongs to the Section Physical Chemistry)

Functional Evaluation of Bioactive Compounds from Natural Sources, 2nd Edition

edited by

Kuniyoshi Shimizu

and

Yhiya Amen

submission deadline 16 Aug 2026 | 14 articles | Viewed by 33594 | Submission Open

Keywords: bioactive compounds; natural sources; functional evaluation; biological activities; health benefits; mechanisms of action; bioactivity; phytochemicals

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

Advances in Dyes and Photochromics

edited by

Jose Antonio Gonzalez Delgado

Agostina-Lina Capodilupo

and

Jesús F. Arteaga

submission deadline 16 Aug 2026 | 4 articles | Viewed by 4548 | Submission Open

Keywords: photochromic compounds; green chemistry; molecular engineering; smart materials; environmental monitoring; electronic textiles; light-responsive materials; functional dyes; optical data storage; biomedical applications

(This special issue belongs to the Section Photochemistry)

Graphene and Graphene-Related Materials for Energy and Environment: Synthesis and Application

edited by