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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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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 351 | 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 346 | 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 329 | 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 328 | 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)

Photocatalysts for Hydrogen Production and CO₂ Reduction

edited by

Lei Ran

and

Francis Verpoort

submission deadline 31 Jul 2026 | Viewed by 322 | Submission Open

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

(This special issue belongs to the Section Green 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 318 | 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)

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 311 | 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)

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 309 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Photocatalytic Nanocomposites: Design, Mechanisms and Applications

edited by Ramona-Crina Suciu

submission deadline 31 Jul 2026 | Viewed by 294 | 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 289 | 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)

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

edited by

Siyi Cheng

submission deadline 31 Jul 2026 | Viewed by 289 | Submission Open

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

(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 286 | 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 285 | 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)

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 274 | 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)

Computational Photochemistry: Challenges and Possibilities

edited by

Yuehui Li

submission deadline 31 Jul 2026 | Viewed by 271 | 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)

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 269 | 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)

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)

Conformational Analysis of Organic Compounds and Biomolecules

edited by Clément Denhez and Hassan Khartabil

submission deadline 31 Jul 2026 | Viewed by 264 | 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)

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)

Chiral Chemistry—from Molecules to Supramolecules

edited by Chengshuo Shen

submission deadline 31 Jul 2026 | Viewed by 249 | 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 248 | 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 241 | Submission Open

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

(This special issue belongs to the Section Medicinal 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 231 | 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 230 | 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 227 | 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 222 | 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 216 | 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 214 | 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)

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 203 | 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)

Low-Dimensional Materials: From Synthesis to Application

edited by Fatih Ersan

submission deadline 31 Jul 2026 | Viewed by 201 | 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)

Research on Porphyrin Compounds and Derivatives: Properties and Application

edited by Huawei Jiang and Lixin Zang

submission deadline 31 Jul 2026 | Viewed by 182 | 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 171 | 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 831 | 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 384 | 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 283 | 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 2512 | 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 5202 | 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 368 | 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 326 | 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 226 | 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 221 | 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 193 | 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 | 13 articles | Viewed by 32471 | 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 4407 | 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

Saverio Latorrata

and

Andrea Basso Peressut

submission deadline 16 Aug 2026 | 3 articles | Viewed by 4071 | Submission Open

Keywords: graphene; graphene-related materials; energy applications; fuel cells; capacitors; photocatalysis; adsorption

(This special issue belongs to the Section Materials Chemistry)

Molecular Interactions Between Biomolecules and Combustion-Derived Air Pollutants: Implications for Human Health and Disease

edited by

Chitra Narayanan

submission deadline 21 Aug 2026 | Viewed by 150 | Submission Open

Keywords: air pollution; biofuel; combustion emissions; protein–pollutant interactions; DNA adducts; QSAR modeling; computational toxicology; oxidative stress; molecular mechanisms; disease pathogenesis

(This special issue belongs to the Section Chemical Biology)

Analysis of Natural Volatile Organic Compounds (NVOCs)

edited by

Igor Jerković

submission deadline 30 Aug 2026 | 4 articles | Viewed by 5847 | Submission Open

Keywords: volatile organic compounds; essential oils; headspace; terpene, norisoporenoid and phenylpropane derivatives; aliphatic compounds; gas chromatography

(This special issue belongs to the Section Flavours and Fragrances)

Application of Mass Spectrometry Techniques in Analytical Chemistry

edited by Xiqing Bian and

Agata Kot-Wasik

submission deadline 30 Aug 2026 | 4 articles | Viewed by 2547 | Submission Open

Keywords: mass spectrometry; analytical chemistry; omics analysis; pharmaceutical analysis; food safety; clinical diagnostics

(This special issue belongs to the Section Analytical Chemistry)

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