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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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MOF-Based Catalysts for CO₂ Capture and Conversion

edited by Ning Liu and

Wenyuan Huang

submission deadline 30 Jun 2026 | Viewed by 72 | Submission Open

Keywords: metal– organic frameworks (MOFs); CO2 capture and conversion; heterogeneous catalysis; sustainable catalysis; porous materials; green chemistry; structure– activity relationship; carbon utilization

(This special issue belongs to the Section Materials Chemistry)

Ionic Liquids and Deep Eutectic Solvents: From Synthesis to Emerging Applications

edited by Marina Cvjetko Bubalo and

Pedro Lozano

submission deadline 30 Jun 2026 | Viewed by 71 | Submission Open

Keywords: microwave-assisted organic synthesis; biotransformation; green chemistry; ionic liquids; antioxidant activity; phenolic compounds; reactor design; cytotoxicity; environmental engineering; green technology

(This special issue belongs to the Section Green Chemistry)

Pharmacological Evaluation and Phytochemical Analysis of Natural Products, 2nd Edition

edited by

Sergio Faloni de Andrade

submission deadline 30 Jun 2026 | Viewed by 69 | Submission Open

Keywords: natural products; phytochemistry; pharmacological evaluation; secondary metabolites; phytochemical analysis

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

Preparation, Characterization and Application of Activated Carbons

edited by

Karolina Kiełbasa

and

Joanna Sreńscek-Nazzal

submission deadline 30 Jun 2026 | Viewed by 68 | Submission Open

Keywords: activated carbons; carbon materials; adsorption; absorption; adsorbents; porous materials; biomass-derived porous materials; catalysts; modeling

(This special issue belongs to the Section Materials Chemistry)

Elemental Analysis and Determination for Food and Environmental Samples

edited by Kelly das Graças Fernandes Dantas and

João B. Pereira-Júnior

submission deadline 30 Jun 2026 | Viewed by 64 | Submission Open

Keywords: spectroanalytical techniques; mineral composition; sample preparation; essential elements; toxic elements; food safety; nutritional analysis; environmental monitoring

(This special issue belongs to the Section Analytical Chemistry)

Boron-Containing Compounds: Chemistry, Biological Functions, and Emerging Biomedical Applications

edited by

Ion Romulus Scorei

submission deadline 30 Jun 2026 | Viewed by 63 | Submission Open

Keywords: boron-containing compounds; organoboron chemistry; boron– carbohydrate complexes; boronated lipids; BNCT; boron essentiality; microbiota-accessible boron; boron-based therapeutics; boron prebiotic chemistry; molecular nutrition; membrane biology; carboranes

Featured Reviews in Bioorganic Chemistry

edited by

Maja Jazvinšćak Jembrek

submission deadline 30 Jun 2026 | Viewed by 63 | Submission Open

Keywords: bioorganic chemistry; enzyme inhibitors; biocatalysis; biosynthesis; immunochemical techniques; membrane chemistry; peptides chemistry

(This special issue belongs to the Section Bioorganic Chemistry)

Applications of Porous Organic Frameworks in Environmental Remediation

edited by

Peng Li

, Xingjie Wang and Kaikai Ma

submission deadline 30 Jun 2026 | Viewed by 62 | Submission Open

Keywords: porous organic frameworks (POFs); covalent organic frameworks (COFs); porous aromatic frameworks (PAFs); hydrogen-bonded organic frameworks (HOFs); environmental remediation; pollutant adsorption; catalytic degradation; gas capture and conversion; functional porous materials

(This special issue belongs to the Section Applied Chemistry)

Structure-Activity Relationships of Plant-Based Compounds

edited by Iwona Kowalska

submission deadline 30 Jun 2026 | Viewed by 60 | Submission Open

Keywords: natural products; structure– activity relationship; biological activity; chemical structure; plant compounds

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

Porous Materials: Synthetic Strategies and Applications, 2nd Edition

edited by

Mei Hong

submission deadline 30 Jun 2026 | Viewed by 60 | Submission Open

Keywords: porous materials; synthesis; metal– organic frameworks; zeolites; inorganic– organic hybrids; covalent organic frameworks

(This special issue belongs to the Section Materials Chemistry)

Organic Molecules: Molecular Structure, Photochemical Properties, and Computational Studies

edited by Jun Gao and

Shmuel Zilberg

submission deadline 30 Jun 2026 | Viewed by 59 | Submission Open

Keywords: organic photochemistry; excited-state dynamics; photoredox catalysis; singlet fission; energy and electron transfer; computational photochemistry; quantum chemical calculations; structure– property relationships; photofunctional materials

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

Synthesis and Application of Porphyrin-Based Catalysts

edited by

Hai-yang Liu

submission deadline 30 Jun 2026 | Viewed by 58 | Submission Open

Keywords: porphyrin synthesis; catalysis; renewable energy; photocatalysis; electrocatalysis; homogeneous catalysis

(This special issue belongs to the Section Applied Chemistry)

Recent Advances in the Development of Innovative Anticancer Agents and Antitumor Strategies

edited by

Sebastiano Intagliata

Elisa Magli

and

Mariachiara Trapani

submission deadline 30 Jun 2026 | Viewed by 57 | Submission Open

Keywords: anticancer strategies; anticancer agents; drug design; drug development; chemical synthesis; small molecules; drug delivery; prodrugs; hybrid compounds; multitarget ligands; conjugate derivatives; polypharmacology; hybrid nanoassemblies; nanoparticles; supramolecular systems; theranostics

(This special issue belongs to the Section Medicinal Chemistry)

Charge Dynamics and Stability Engineering in Next-Generation Quantum Dots

edited by

Fatih Ungan

submission deadline 30 Jun 2026 | Viewed by 56 | Submission Open

Keywords: quantum dots; nanoparticles; surface chemistry; structure– property relations; stability

(This special issue belongs to the Section Physical Chemistry)

Biological Properties of Terpenoids

edited by

Raphaël E. Duval

and

Youness Limami

submission deadline 30 Jun 2026 | Viewed by 55 | Submission Open

Keywords: terpenoids; biological activities; anticancer; anti-infectives; anti-inflammatory; antioxidant

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

Sustainable Smart Coatings for Corrosion Protection

edited by Thiago Ferreira da Conceição

submission deadline 30 Jun 2026 | Viewed by 54 | Submission Open

Keywords: smart coatings; sustainable coatings; corrosion protection; biodegradable polymers; self-healing

(This special issue belongs to the Section Materials Chemistry)

Molecular Simulations of Energy Materials, 2nd Edition

edited by

Viorel Chihaia

and

Godehard Sutmann

submission deadline 30 Jun 2026 | Viewed by 52 | Submission Open

Keywords: energy materials; molecular simulation; molecular dynamics; Monte Carlo simulations; quantum computation; electronic structure; intra- and intermolecular forces

(This special issue belongs to the Section Physical Chemistry)

Chemical and Functional Characterization of Novel Plant Proteins

edited by

Joanna Miedzianka

submission deadline 30 Jun 2026 | Viewed by 51 | Submission Open

Keywords: novel plant proteins; chemical characterization; functional properties; protein structure– function relationships; extraction and modification techniques; techno-functional behavior; protein digestibility and bioactivity; sustainable protein sources

(This special issue belongs to the Section Food Chemistry)

Recent Advances of Anti-Infective Activity Compounds

edited by

Cauê Benito Scarim

and

Jean Leandro Dos Santos

submission deadline 30 Jun 2026 | Viewed by 49 | Submission Open

Keywords: anti-infective agents; medicinal chemistry; antimicrobial resistance; rational drug design; structure– activity relationship (SAR); ligand- and structure-based optimization; heterocyclic compounds; prodrugs; metal-based molecules; bioisosteric modification; hybrid molecules; synthetic methodologies; ADME profiling; PK/PD parameters; computational modeling

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Supramolecular Photochemistry

edited by

Fausto Puntoriero

submission deadline 30 Jun 2026 | Viewed by 47 | Submission Open

Keywords: supramolecular photochemistry; supramolecular bioimaging; photoactive supramolecular assemblies; photocatalysis; aggregation-induced emission (AIE); energy and electron transfer; confined-space photochemistry; photoresponsive materials

(This special issue belongs to the Section Photochemistry)

Magnetic Resonance Imaging: Development and Applications

edited by Yongming Dai

submission deadline 30 Jun 2026 | Viewed by 47 | Submission Open

Keywords: magnetic resonance imaging; lung function imaging; tumor microenvironment; quantitative MRI; ultra-high-field MRI; advanced diffusion/perfusion imaging; functional MRI; artificial intelligence

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Transformations and Analysis in Food: Nutrition, Flavor Compounds, and Microbiological Research

edited by

Zhijia Liu

Xuejiao Wang

and

Xingwei Wang

submission deadline 30 Jun 2026 | Viewed by 46 | Submission Open

Keywords: flavor compounds; fermented food; flavor formation; flavor compound production/synthesis

(This special issue belongs to the Section Food Chemistry)

Analytical Techniques in Phytochemistry: From Metabolite Profiling to Structure Elucidation

edited by

Milen I. Georgiev

submission deadline 30 Jun 2026 | Viewed by 44 | Submission Open

Keywords: phytochemistry; metabolite profiling; structure elucidation; chromatography; spectroscopy; mass spectrometry; NMR spectroscopy; natural products; plant metabolites; analytical techniques; metabolomics; bioactive compounds

(This special issue belongs to the Section Analytical Chemistry)

Molecular Design and Synthesis of Novel Energetic Compounds, 2nd Edition

edited by

Jianguo Zhang

submission deadline 30 Jun 2026 | Viewed by 44 | Submission Open

Keywords: energetic compounds; molecular design; synthesis; structure; performance; sensitivity

Structure and Properties of Energetic Materials

edited by

Shiliang Huang

submission deadline 30 Jun 2026 | Viewed by 43 | Submission Open

Keywords: energetic molecules; crystal structures and crystal morphologies; nano/micro structures; energetic cocrystals; energetic MOFs and energetic metal complexes; energetic composites; thermal stability; sensitivity and detonation performance

(This special issue belongs to the Section Materials Chemistry)

Design and Development of Antibacterial Molecules

edited by

Gildardo Rivera Sanchez

submission deadline 30 Jun 2026 | Viewed by 43 | Submission Open

Keywords: bioactive compounds; computer-aided drug design; synthesis and biological activity of small molecules; drug targets; drug repositioning

(This special issue belongs to the Section Medicinal Chemistry)

Targeted Therapies: Design, Synthesis, and Biological Evaluation

edited by

Dimitra Hadjipavlou-Litina

, Amit Nathubhai and

Stephanie Myers

submission deadline 30 Jun 2026 | Viewed by 43 | Submission Open

Keywords: rational and/or structure-based design; organic synthesis; structure– activity relationships; lead optimization; biochemical analysis (assays); DMPK; targeted therapies— inhibitors against known target; prodrugs; receptors as targets

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Optoelectronic Functional Materials: From Fundamental Innovation to Cutting-Edge Applications

edited by Fuquan Bai

submission deadline 30 Jun 2026 | Viewed by 41 | Submission Open

Keywords: design; synthesis; characterization; application; theoretical; optoelectronic functional material; perovskite solar cell; 2D material; graphene; TMDs; heterostructure; photodetector; flexible electronics; sensor; quantum dot; LED

(This special issue belongs to the Section Materials Chemistry)

Overcoming Drug Resistance in Cancer: Molecular Mechanisms and Innovative Strategies

edited by

Brindusa Tiperciuc

submission deadline 30 Jun 2026 | Viewed by 41 | Submission Open

Keywords: cancer therapeutics; epigenetic regulation; adaptive signaling pathways; tumor microenvironment; cancer targeted therapy resistance; biomarkers

(This special issue belongs to the Section Medicinal Chemistry)

Advances in the Chemical Analysis of Prehistoric Materials

edited by

Federica Valentini

submission deadline 30 Jun 2026 | Viewed by 37 | Submission Open

Keywords: archaeological tools (resins; adhesives); chromatography (gas chromatography); infrared spectroscopy; nuclear magnetic resonance (NMR); archaeobotany; archaeology; terpenoids; sesquiterpenes; volatile organic compounds (VOCs)

(This special issue belongs to the Section Analytical Chemistry)

Development of Active Bio-Packaging Films for Food Industry with Natural Bioactive Compounds

edited by Renata Dobrucka

submission deadline 30 Jun 2026 | Viewed by 36 | Submission Open

Keywords: active packaging; natural compounds; biomaterials; biocomposites; natural polymers; polysaccharides; packaging materials

(This special issue belongs to the Section Materials Chemistry)

Supramolecular Gels: Structure-Property Correlation and Their Applications in Sensors and Environmental Remediation

edited by

Krishna K. Damodaran

submission deadline 30 Jun 2026 | Viewed by 27 | Submission Open

Keywords: design; structure– property correlation; dye removal; water remediation; sensors

(This special issue belongs to the Section Materials Chemistry)

Materials Chemistry in China, 3rd Edition

edited by

Afang Zhang

Cun-Yue Guo

and

Xiaolei Sun

submission deadline 30 Jun 2026 | Viewed by 27 | Submission Open

Keywords: biomaterials; electronic materials; hydrogels; intelligent materials; polymer composites; supramolecular materials; energy materials

(This special issue belongs to the Section Materials Chemistry)

Progress in Molecular Design and Synthesis of Anticancer Agents

edited by

José M. Padrón

and Adrián Puerta

submission deadline 30 Jun 2026 | Viewed by 26 | Submission Open

Keywords: molecular design; targeted protein degradation; molecular glues; targeted covalent inhibitor; artificial intelligence in drug discovery; ferroptosis; multidrug resistance

(This special issue belongs to the Section Medicinal Chemistry)

Ligands: Design, Syntheses, and Applications in Organometallic Catalysis

edited by

David Sémeril

submission deadline 30 Jun 2026 | Viewed by 25 | Submission Open

Keywords: ligand design; organometallic catalysis; green & sustainable chemistry; industrial catalysis; synthesis & applications

(This special issue belongs to the Section Organometallic Chemistry)

Advanced Analytical Techniques for the Detection and Quantification of Emerging Contaminants, 2nd Edition

edited by

Maria Christina Nika

Georgios Gkotsis

and

Carolina Nebot

submission deadline 30 Jun 2026 | Viewed by 23 | Submission Open

Keywords: extraction protocols; method development; determination of emerging contaminants; fate and transformation of contaminants; environmental monitoring; advanced separation techniques; high-resolution mass spectrometry; identification workflows

(This special issue belongs to the Section Analytical Chemistry)

Advances in Molecular Modeling in Chemistry, 3rd Edition

edited by

Heng Zhang

submission deadline 30 Jun 2026 | Viewed by 23 | Submission Open

Keywords: molecular modeling; applications; quantum chemistry calculation; molecular dynamic simulation; Monte Carlo simulation; combined experimental and simulation studies

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

Recent Advances of Nanomaterials in Electrochemistry

edited by Najeeb Lashari

submission deadline 30 Jun 2026 | Viewed by 4 | Submission Open

Keywords: nanomaterials; electrochemistry; nanostructured electrodes; electrocatalysis; energy storage; batteries; supercapacitors; electrochemical sensors; nanocomposites; two-dimensional materials; transition metal oxides; carbon nanomaterials; conductive polymers; interface engineering; charge transport; photoelectrochemistry; green energy technologies; surface chemistry; nano-electrocatalysts; advanced functional materials

(This special issue belongs to the Section Nanochemistry)

Alternative Routes for the Delivery of Drug Molecules

edited by

Denitsa Momekova

Christina Voycheva

and Teodora Popova

submission deadline 1 Jul 2026 | 1 articles | Viewed by 469 | Submission Open

Keywords: transdermal; nasal; pulmonary; ophthalmic; liposomes; dendrimers; microneedles; cubosomes

(This special issue belongs to the Section Medicinal Chemistry)

Natural Product Leads Targeting Inflammatory Pathways

edited by

Solomon Habtemariam

submission deadline 1 Jul 2026 | Viewed by 108 | Submission Open

Keywords: natural products; lead compounds; anti-inflammatory; inflammatory pathways; drug discovery; medicinal plants; phytochemistry

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

Synthesis and Application of Heteroatomic Containing Compounds

edited by

György Keglevich

submission deadline 1 Jul 2026 | Viewed by 77 | Submission Open

Keywords: organometallic syntheses; heteroatomic asymmetry center; P-stereogenic center; asymmetric syntheses; enantioselective syntheses; transition metal complexes

(This special issue belongs to the Section Applied Chemistry)

Design and Application of Functional Supramolecular Materials

edited by

Jie Yang

submission deadline 9 Jul 2026 | 1 articles | Viewed by 1004 | Submission Open

Keywords: supramolecular chemistry; noncovalent interactions; self-assembly; host– guest chemistry; functional materials

(This special issue belongs to the Section Materials Chemistry)

Novel Analytical Techniques in Food Chemistry

edited by

Marilena Dasenaki

submission deadline 15 Jul 2026 | Viewed by 62 | Submission Open

Keywords: food quality and safety; food authenticity; food analysis; mass spectrometry; spectroscopic techniques; biosensors; chemometrics and machine learning; foodomics

(This special issue belongs to the Section Analytical Chemistry)

Nanomaterial-Based Biosensors: From Design to Analytical Applications

edited by Irene Ojeda and Diana Vilela-Garcia

submission deadline 15 Jul 2026 | Viewed by 43 | Submission Open

Keywords: nanomaterial-based biosensors; nanomaterials; electrochemical biosensors; nanocomposites; analytical chemistry; electrode modification; nanostructures; sensor interfaces; electroanalysis; biofunctionalization

(This special issue belongs to the Section Nanochemistry)

Precise Design and Action Mechanism of Photocatalytic Nanomaterials

edited by

Yaya Yang

submission deadline 15 Jul 2026 | Viewed by 20 | Submission Open

Keywords: photocatalytic nanomaterials; precise design; water pollution control; molecular/atomic-level design; structure– activity relationship; microscopic action mechanism; pollution removal performance

(This special issue belongs to the Section Materials Chemistry)

The Design and Synthesis of Nanomaterials for Electrochemical Energy Storage and Conversion

edited by Yan Zhou and Zhen Wu

submission deadline 16 Jul 2026 | 1 articles | Viewed by 335 | Submission Open

Keywords: electrochemical energy storage; electrochemical energy conversion; batteries; supercapacitors; nanostructured electrode materials; nanostructured electrocatalysts

(This special issue belongs to the Section Applied Chemistry)

Chemistry, Bioactivity and Authenticity of Sugar-Rich and Fermented Foods and Beverages

edited by

Svetlana Simova

and

Dessislava Gerginova

submission deadline 20 Jul 2026 | Viewed by 77 | Submission Open

Keywords: sugar-rich foods; fermented beverages; chemical characterization; analytical techniques; bioactive compounds; metabolomics; authenticity; food control

(This special issue belongs to the Section Food Chemistry)

Exploring the Antioxidant Properties of Natural Products

edited by Leticia Xochitl Lopez-Martinez and Ramiro Baeza-Jiménez

submission deadline 26 Jul 2026 | Viewed by 31 | Submission Open

Keywords: carotenoids; phenolic compounds; oxidative stress; health benefits; bioactive and nutritional molecules; essential oils; agricultural byproducts

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

Nanomaterials for Biomedicine: Innovations and Challenges

edited by