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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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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 507 | 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)

Analytical Studies of Bioactive Natural Products in Food

edited by

Constantinos Tsiafoulis

submission deadline 31 Jul 2026 | Viewed by 498 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

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

edited by

Rodica Olar

submission deadline 31 Jul 2026 | Viewed by 497 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Kinetic and Mechanistic Studies on Multifunctional Antioxidants

edited by

Adriana Perez-Gonzalez

submission deadline 31 Jul 2026 | Viewed by 475 | Submission Open

Keywords: thermodynamic; kinetic; quantum chemistry; reaction paths; oxidative stress; protective effect; ROS inhibition; reactivity

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

Computational Approaches in Pharmaceutical Chemistry: Challenges and Opportunities

edited by

Roberta Rocca

submission deadline 31 Jul 2026 | Viewed by 469 | Submission Open

Keywords: molecular docking; protein–ligand interactions; structure-based and ligand-based virtual screening; molecular dynamics; pharmacophore modeling; enhanced sampling methods; drug discovery; lead optimization

(This special issue belongs to the Section Medicinal Chemistry)

Discovery and Structure Optimization of Antibacterial Natural Products

edited by

Yong Guo

submission deadline 31 Jul 2026 | Viewed by 450 | 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 418 | Submission Open

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

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

Biocatalysis in Deep Eutectic Solvents: Stability, Immobilization and Applications

edited by

Nadia Guajardo

and

Nicolás F. Gajardo-Parra

submission deadline 31 Jul 2026 | Viewed by 384 | Submission Open

Keywords: biocatalysis; deep eutectic solvents; enzyme stability; enzyme selectivity; enzyme immobilization; reaction medium; enzymatic reactors; enzyme molecular dynamics

(This special issue belongs to the Section Green Chemistry)

Applied Surface Chemistry and Functionality

edited by Chaolang Chen

submission deadline 31 Jul 2026 | Viewed by 383 | 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 Biological Properties of Natural Product Analogues

edited by

Zhiran Ju

and

Lijian Ding

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

Keywords: natural product analogues; synthesis; biological evaluation; structure–activity relationship (SAR); NP-based therapeutic agents; pharmacophores

(This special issue belongs to the Section Natural Products 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 347 | 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 341 | Submission Open

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

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

Advances in Chemical Metallurgy for Sustainable Metal Recovery

edited by Beata Pośpiech

submission deadline 31 Jul 2026 | Viewed by 327 | Submission Open

Keywords: metallurgy; hydrometallurgy; metal recovery; separation methods; leaching; solvent extraction; ion exchange; membrane separation

(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 326 | 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)

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 319 | 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)

Innovations in Mass Spectrometry for Analytical Chemistry

edited by Claudia S. Maier and Stanislau Stanisheuski

submission deadline 31 Jul 2026 | Viewed by 313 | 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)

Photocatalysts for Hydrogen Production and CO₂ Reduction

edited by

Lei Ran

and

Francis Verpoort

submission deadline 31 Jul 2026 | Viewed by 309 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

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 306 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Phytochemicals in Medicinal Plants: From Extraction to Bioactivity

edited by

Maria Fernanda Taviano

Rosaria Acquaviva

and

Giuseppe Antonio Malfa

submission deadline 31 Jul 2026 | Viewed by 305 | Submission Open

Keywords: medicinal plants; phytochemicals; bioactive compounds; extraction strategies; phytochemical profiling; biological activities; health applications; nutraceuticals

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

Photocatalytic Nanocomposites: Design, Mechanisms and Applications

edited by Ramona-Crina Suciu

submission deadline 31 Jul 2026 | Viewed by 288 | Submission Open

Keywords: photocatalytic; nanocomposites; matrix; reinforcement; nanomaterials

(This special issue belongs to the Section Nanochemistry)

Recent Advances in Amino Acid-Based Ionic Liquids

edited by

Maya Guncheva

submission deadline 31 Jul 2026 | Viewed by 283 | Submission Open

Keywords: synthesis; physicochemical properties; theoretical studies; functional materials; drug formulation; (bio)separation; (bio)catalysis; toxicity

(This special issue belongs to the Section Molecular Liquids)

Electrochemical Reduction of CO₂

edited by

Krishnamoorthy Sathiyan

and Toshiaki Taniike

submission deadline 31 Jul 2026 | Viewed by 281 | 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)

Antioxidant and Anti-Inflammatory Activities of Plant Extracts

edited by

Luis Apaza Ticona

submission deadline 31 Jul 2026 | Viewed by 280 | 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)

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

edited by

Siyi Cheng

submission deadline 31 Jul 2026 | Viewed by 280 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Computational Photochemistry: Challenges and Possibilities

edited by

Yuehui Li

submission deadline 31 Jul 2026 | Viewed by 268 | 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)

Advances in Natural Antimicrobial Compounds

edited by Xiaochen Chen

submission deadline 31 Jul 2026 | Viewed by 267 | 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)

Green Sample Preparation: Recent Advances in Sustainable Solid Phase Extraction

edited by

Giovanni D'Orazio

and

Chiara Dal Bosco

submission deadline 31 Jul 2026 | Viewed by 264 | Submission Open

Keywords: sustainable sample preparation; green and white analytical chemistry; advanced functional sorbents; circular economy; sustainability metrics

(This special issue belongs to the Section Analytical Chemistry)

Designed Multiple Ligands in Drug Design and Development-Second Edition

edited by

Rosanna Maccari

submission deadline 31 Jul 2026 | Viewed by 261 | 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)

Emerging Trends in the Design and Functionality of Organic Dyes and Pigments

edited by Alina Raditoiu and

Valentin Raditoiu

submission deadline 31 Jul 2026 | Viewed by 260 | 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)

Conformational Analysis of Organic Compounds and Biomolecules

edited by Clément Denhez and Hassan Khartabil

submission deadline 31 Jul 2026 | Viewed by 256 | 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)

DNA Nanostructures and Biomedicine

edited by

Yinan Zhang

and

Alexander Kotlyar

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

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

(This special issue belongs to the Section Medicinal Chemistry)

Chiral Chemistry—from Molecules to Supramolecules

edited by Chengshuo Shen

submission deadline 31 Jul 2026 | Viewed by 237 | Submission Open

Keywords: chirality; stereochemistry; chiroptical Properties; asymmetric synthesis; supramolecular chemistry; chirality transfer; chiral recognition

(This special issue belongs to the Section Organic Chemistry)

Sustainable Solvents and Green Extraction Techniques for Natural Products

edited by Elena Gómez and

Begoña González

submission deadline 31 Jul 2026 | Viewed by 236 | 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)

Circular Bioeconomy Approaches to Natural Products: From Green Extraction to Bioactivity and Biomass Valorization

edited by

Michela Geminiani

submission deadline 31 Jul 2026 | Viewed by 229 | Submission Open

Keywords: natural products; green extraction; bioactivity; by-products; biomass; biomass valorization

(This special issue belongs to the Section Green Chemistry)

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

edited by

Mirjana Đurasević

submission deadline 31 Jul 2026 | Viewed by 226 | Submission Open

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

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

Modern Trends in Natural Compounds in Neurological Diseases

edited by

Reni Kalfin

submission deadline 31 Jul 2026 | Viewed by 225 | 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)

Composite Porous Materials in Catalysis, 2nd Edition

edited by

Hristiyan A. Aleksandrov

and

Margarita D. Popova

submission deadline 31 Jul 2026 | Viewed by 215 | 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 212 | 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)

Nanoscale Modulation of Cellular Signaling for Diagnostics and Targeted Therapy

edited by Jung Hyun Lee

submission deadline 31 Jul 2026 | Viewed by 209 | 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)

Design, Mechanism, and Applications of Photoinduced/Photocatalyzed Multicomponent Reactions

edited by

Andrea Basso

and

Lisa Moni

submission deadline 31 Jul 2026 | Viewed by 200 | Submission Open

Keywords: photocatalysis; photochemistry; multicomponent reactions; visible-light synthesis; atom economy; reaction mechanisms; sustainable chemistry

(This special issue belongs to the Section Organic Chemistry)

Biocatalysis and Enzymes in Pharmaceutical and Biotechnological Processes, 2nd Edition

edited by Enikő Forró

submission deadline 31 Jul 2026 | Viewed by 199 | 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 196 | 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)

Advances in Chemical Biology of Blood Vessels: From Molecular Interactions to Prospective Targets

edited by

Anthony Zulli

submission deadline 31 Jul 2026 | Viewed by 183 | Submission Open

Keywords: chemoproteomics and activity-based profiling; endothelial signaling and heterogeneity; angiogenesis and vascular remodeling; chemical biology spatial proteomics; real-time chemical probes and dynamic signaling; precision targeting in cardiovascular disease and cancer

(This special issue belongs to the Section Chemical Biology)

Research on Porphyrin Compounds and Derivatives: Properties and Application

edited by Huawei Jiang and Lixin Zang

submission deadline 31 Jul 2026 | Viewed by 172 | Submission Open

Keywords: porphyrins; porphyrins derivatives; fluorescence; photosensitizers; optical responses; electrochemical responses; indicators; catalysis; dye-sensitized solar cells

(This special issue belongs to the Section Organic Chemistry)

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 169 | 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 818 | 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 370 | 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 269 | 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 2424 | 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 5075 | 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)

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