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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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Development and Design of Novel Electrode Materials

edited by

Lei Wang

submission deadline 31 May 2026 | 3 articles | Viewed by 4211 | Submission Open

Keywords: electrode materials; supercapacitors; batteries; electrocatalysis; photovoltaic materials

(This special issue belongs to the Section Electrochemistry)

Exclusive Feature Papers on Molecular Structure, 2nd Edition

edited by

Chan Kyung Kim

submission deadline 31 May 2026 | 3 articles | Viewed by 4197 | Submission Open

Keywords: molecular structure; chemical bonding; molecular clusters; molecular similarity; protein structure prediction; quantum chemistry; spectroscopy; molecular dynamics simulations

(This special issue belongs to the Section Molecular Structure)

Functional Heterocyclic Compounds with Outstanding Biological Activities

edited by

Oana Maria Dragostin

and

Maria Luisa Di Gioia

submission deadline 31 May 2026 | 2 articles | Viewed by 4194 | Submission Open

Keywords: pharmaceutical chemistry; bioactive heterocyclic compounds; antitumor extracts; plant extract– synthetic substances associations; biocompatibility; nontoxicity

(This special issue belongs to the Section Medicinal Chemistry)

Nutritional and Bioactive Components of Edible Parts of Medicinal Plants

edited by

Monika Kosmala

Elżbieta Karlińska

and Joanna Milala

submission deadline 31 May 2026 | 6 articles | Viewed by 4147 | Submission Open

Keywords: herbs; dietary fiber; polyphenols; ellagitannins; antioxidants; minerals; gastrointestinal track

(This special issue belongs to the Section Food Chemistry)

Feature Papers in Applied Chemistry: 4th Edition

edited by

Shaojun Yuan

submission deadline 31 May 2026 | 2 articles | Viewed by 3835 | Submission Open

Keywords: applied chemistry; new molecules/materials; analytical methods and techniques; electrochemistry and catalysis; new materials and medicines

(This special issue belongs to the Section Applied Chemistry)

Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition

edited by

Diana Obistioiu

and

Iuliana Popescu

submission deadline 31 May 2026 | 4 articles | Viewed by 3616 | Submission Open

Keywords: bioactive compounds; non-conventional extraction techniques; modern analytical methods; authenticity; molecular mechanism; functional properties; antimicrobial; antitumoral; anti-inflammatory; and antioxidant properties

(This special issue belongs to the Section Cross-Field Chemistry)

Advances in Anticancer Activity of Natural Products and Related Compounds

edited by

Alexandra Mioc

submission deadline 31 May 2026 | 3 articles | Viewed by 3375 | Submission Open

Keywords: natural compounds; anticancer activity; bioactive compounds; cancer therapeutics; drug resistance; synergistic effect

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

Nanotechnology Landscape in Modern Medicine

edited by

Gianina Dodi

submission deadline 31 May 2026 | 1 articles | Viewed by 3037 | Submission Open

Keywords: nanotechnology; nanomedicine; healthcare; nanomaterials and nanostructures; nanoparticles; drug delivery systems; regenerative medicine; biosensing and monitoring; imaging and dignosis

(This special issue belongs to the Section Materials Chemistry)

Challenges and Future Directions in Toxic Activity and Antimicrobial Application of Plant and Food Extracts

edited by

Felipe Ascencio

and

Norma Hernández-Saavedra

submission deadline 31 May 2026 | 2 articles | Viewed by 3031 | Submission Open

Keywords: effectiveness: evaluate the efficacy of extracts under various conditions and against different pathogens; toxicity: investigate potential adverse effects of extracts on humans and animals; biodiversity: explore the diversity of plant species to discover new antimicrobial properties; sustainability: develop extraction and production methods that are environmentally friendly and sustainable; innovation: apply modern technologies; such as biotechnology; to improve the efficacy of extracts

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

Opportunities and Challenges in Protein Crystallography

edited by

Rocco Caliandro

submission deadline 31 May 2026 | 1 articles | Viewed by 2847 | Submission Open

Keywords: protein crystals; X-ray diffraction; cryo-EM; small-angle X-ray scattering; phasing methods; structural analysis

(This special issue belongs to the Section Chemical Biology)

Metal Complexes: Synthesis, Characterization and Applications

edited by

Raquel G. Soengas

and

Sara M. Soto

submission deadline 31 May 2026 | 2 articles | Viewed by 2721 | Submission Open

Keywords: coordination compounds; synthetic strategies; magnetic properties; optical properties; metallodrugs; catalysis

(This special issue belongs to the Section Organometallic Chemistry)

Enzyme Inhibitors: Design, Synthesis and Biological Evaluation—3rd Edition

edited by

Letizia Crocetti

and

Maris Cinelli

submission deadline 31 May 2026 | 2 articles | Viewed by 2321 | Submission Open

Keywords: enzyme inhibitors; drug design; organic synthesis; biological evaluation; molecular modeling studies; kinetic experiment

(This special issue belongs to the Section Chemical Biology)

Bioactive Compounds Encapsulation System: Design and Applications

edited by

Yong-Jiang Xu

and

Gangcheng Wu

submission deadline 31 May 2026 | 1 articles | Viewed by 2095 | Submission Open

Keywords: bioactive compounds; encapsulation; nanocarriers; bioavailability; targeted delivery; drug delivery; functional foods

(This special issue belongs to the Section Food Chemistry)

Advances in Transition Metal Catalysis for Organic Synthesis

edited by

Haibo Ge

and

Chong Liu

submission deadline 31 May 2026 | 1 articles | Viewed by 1919 | Submission Open

Keywords: transition metal catalysis; organometallic chemistry; organic synthesis; alkene functionalization; C-H functionalization

(This special issue belongs to the Section Organometallic Chemistry)

Purposeful Assembly and Versatile Applications of Advanced Crystalline Frameworks

edited by

Liming Fan

submission deadline 31 May 2026 | 2 articles | Viewed by 1775 | Submission Open

Keywords: metal– organic frameworks; covalent organic frameworks; hydrogen-bonded organic frameworks; post-synthetic modification strategy; composite materials

(This special issue belongs to the Section Inorganic Chemistry)

Treatment and Analysis of PFAS in Environmental Pollution

edited by

Shilai Hao

submission deadline 31 May 2026 | 1 articles | Viewed by 1686 | Submission Open

Keywords: PFAS; total fluorine; treatment; environmental samples

(This special issue belongs to the Section Green Chemistry)

Heterocycles: Design, Synthesis and Biological Evaluation, 4th Edition

edited by

Edward Krzyżak

and

Piotr Świątek

submission deadline 31 May 2026 | 2 articles | Viewed by 1279 | Submission Open

Keywords: heterocycles; organic synthesis; drug design; biological activity; medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Research on Photosensitive Materials, 2nd Edition

edited by Shengjie Wang

submission deadline 31 May 2026 | 1 articles | Viewed by 1251 | Submission Open

Keywords: photosensitive materials; photochromic materials; photoluminescence materials; photothermal materials; photovoltaic materials; photocatalysts

(This special issue belongs to the Section Materials Chemistry)

Corrosion Mechanisms and Protection Technologies of Metallic Materials Under Harsh Environments

edited by Baojun Dong,

Tianyi Zhang

, Dezhi Zeng and

Yuxin Zhang

submission deadline 31 May 2026 | 2 articles | Viewed by 1129 | Submission Open

Keywords: metal coating; non-metal coating; coating design and preparation; coating performance evaluation; corrosion mechanism in harsh environments

(This special issue belongs to the Section Materials Chemistry)

Nanoparticles for Environmental Applications

edited by

Marija B. Radoičić

submission deadline 31 May 2026 | 1 articles | Viewed by 1025 | Submission Open

Keywords: environmental nanotechnology; water treatment; remediation; nanoparticles; pollution control; EMI shielding; ecotoxicology; green chemistry

(This special issue belongs to the Section Materials Chemistry)

Selectivity and Theoretical Studies of Cycloaddition Reactions

edited by

Radomir Jasiński

Agnieszka Łapczuk

and Ewa Dresler

submission deadline 31 May 2026 | 1 articles | Viewed by 996 | Submission Open

Keywords: cycloaddition; selectivity; density functional theory (DFT); reaction mechanisms; catalysis; stereocontrol

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

Advances in Biomaterials: Preparation, Properties and Applications in Biomedicine and Tissue Engineering

edited by

Lei Nie

and

Chao Wang

submission deadline 31 May 2026 | 1 articles | Viewed by 976 | Submission Open

Keywords: biomaterials; decellularized extracellular matrix; tissue engineering; biomedicine; dECM scaffold; bioink; hydrogels

(This special issue belongs to the Section Materials Chemistry)

Advances in Energetic Materials and Associated Detection Methods

edited by

Tomasz Jarosz

and Karolina Głosz

submission deadline 31 May 2026 | 1 articles | Viewed by 814 | Submission Open

Keywords: energetic materials; detection; sensors; fumes; risk assessment

(This special issue belongs to the Section Applied Chemistry)

Organometallic Compounds: Design, Synthesis and Application: 2nd Edition

edited by

Yanping Ma

submission deadline 31 May 2026 | 2 articles | Viewed by 797 | Submission Open

Keywords: organometallic compounds; design and synthesis; transition metal complexes; catalysis; metal coordination; catalytic applications; mechanisms; organic– inorganic hybrid compounds

(This special issue belongs to the Section Organometallic Chemistry)

The Catalytic Conversion of Biomass

edited by

Nikolaos Kokkinos

submission deadline 31 May 2026 | 1 articles | Viewed by 777 | Submission Open

Keywords: biomass valorization; catalysts; biocatalysis; electrochemical catalysis; industrial catalysis; renewable feedstocks; sustainable chemistry; bio-based products

(This special issue belongs to the Section Green Chemistry)

New Advances in Radiopharmaceutical Sciences, 2nd Edition

edited by

Elisabeth Eppard

submission deadline 31 May 2026 | 1 articles | Viewed by 744 | Submission Open

Keywords: radiopharmacy/radiopharmaceuticals; radiochemistry; radionuclide therapy; theranostics; PET; SPECT; tadiolabeling techniques; radionuclide production; nuclear medicine

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Food Compounds and Their Health Benefits

edited by

Sabina Lachowicz-Wiśniewska

submission deadline 31 May 2026 | 2 articles | Viewed by 626 | Submission Open

Keywords: polyphenolic compounds; bioactive compound; natural products; food safety; phytochemicals; carotenoids; LC-MS/MS techniques; HPLC-DAD-MS; fruits; vegetables; and mushrooms; antioxidant compounds; functional food; prebiotics; health benefits

(This special issue belongs to the Section Food Chemistry)

Advanced Approaches for Analysis of Food Contaminants and Residues

edited by

Emmanouil Tsochatzis

submission deadline 31 May 2026 | 1 articles | Viewed by 625 | Submission Open

Keywords: allergens in foods; antibiotics in food products; endocrine-disrupting substances; food additives; food contact materials; mycotoxins; pesticides; polyaromatic hydrocarbons (PAH); process-induced changes and oxidation products

(This special issue belongs to the Section Analytical Chemistry)

Role of Computer Aided Drug Design in Drug Development, Second Edition

edited by

Murilo Lamim Bello

submission deadline 31 May 2026 | Viewed by 621 | Submission Open

Keywords: computer-aided drug design; molecular modeling and simulations; machine learning and artificial intelligence; drug synthesis pathway design; drug carriers design; drug crystal structures modeling

(This special issue belongs to the Section Medicinal Chemistry)

Small Fish Models for Molecular-Ethnopharmacology and Drug Discovery

edited by

Yasuhito Shimada

submission deadline 31 May 2026 | 1 articles | Viewed by 600 | Submission Open

Keywords: bioactive compounds; chemical biology; natural product screening; omics; phytochemicals; systems pharmacology

(This special issue belongs to the Section Medicinal Chemistry)

Lignin Valorization in Biorefineries

edited by Carlos Eduardo De Araújo Padilha, Everaldo Silvino Dos Santos and Domingos Fabiano de Santana Souza

submission deadline 31 May 2026 | 1 articles | Viewed by 504 | Submission Open

Keywords: pretreatment; bioactive compounds; antioxidant properties; kraft lignin; extraction; thermochemical processes

(This special issue belongs to the Section Green Chemistry)

Algal Biomolecules for Food and Pharmaceutical Innovations: Extraction, Characterization and Applications

edited by Renu Geetha Bai

submission deadline 31 May 2026 | 1 articles | Viewed by 491 | Submission Open

Keywords: algal biotechnology; biomass valorization; bioavailability evaluations; advanced extraction and purification techniques; functional and nutraceutical properties

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

Biopolymer-Based Materials: Preparation, Properties and Applications

edited by

Gabriela Dudek

submission deadline 31 May 2026 | 1 articles | Viewed by 418 | Submission Open

Keywords: biopolymer; biopolymer based; material; preparation; processing; characterization; modification; physicochemical; mechanical; application; packaging; biomedical engineering; agriculture; environmental remediation

(This special issue belongs to the Section Green Chemistry)

Innovations in Heterocyclic Chemistry: Synthesis, Characterization and Bioactivity

edited by Fernanda da Costa Santos Boechat, Maria Cecília B. V. De Souza,

Marcela Cristina de Moraes

and

Pedro Netto Batalha

submission deadline 31 May 2026 | Viewed by 358 | Submission Open

Keywords: heterocycles; synthesis; bioactivity; medicinal chemistry; structure-activity relationship (SAR); green chemistry; biochromatography; sustainability

(This special issue belongs to the Section Medicinal Chemistry)

Current Research in Wine Chemistry and Analysis

edited by

Elisavet Bouloumpasi

submission deadline 31 May 2026 | 1 articles | Viewed by 333 | Submission Open

Keywords: wine chemistry; analytical methods; sensory properties; phenolic compounds; fermentation chemistry

(This special issue belongs to the Section Food Chemistry)

Essential Oils and Their Derivatives: Characterization, Biological Activity and Application

edited by

Noura Ahmed

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

Keywords: essential oils; aromatic plants; natural products; bioactive compounds; biological activities; pharmacology of volatiles; structure elucidation; isolation techniques

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

Advanced Materials for Efficient Sulfur Removal in Industrial and Environmental Applications

edited by

Adeniyi S. Ogunlaja

and Tendai O. Dembaremba

submission deadline 31 May 2026 | Viewed by 255 | Submission Open

Keywords: industrial desulfurization; catalytic sulfur removal; nanostructured catalysts; hydrodesulfurization (HDS); environmental catalysis; SOx emission control; clean fuel production; process scalability

Photo- and Electro-Chemical Synthesis and Their Combined Processes

edited by

Carlos A. Martínez-Huitle

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

Keywords: photoelectrochemical; electrochemical; synthesis; hydrogen; valuable compounds; energy production and conversion; CO2; fuels

(This special issue belongs to the Section Electrochemistry)

Supercritical Fluid Extraction of Natural Products

edited by

Laura Jūrienė

and

Petras Rimantas Venskutonis

submission deadline 31 May 2026 | Viewed by 239 | Submission Open

Keywords: supercritical fluid extraction (SFE); natural products; green chemistry; carbon dioxide extraction; sustainable extraction; phytochemicals; scale-up; environmentally friendly processes

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

Doping Strategies for Carbon-Based Electrocatalysts

edited by

Paweł Szroeder

submission deadline 31 May 2026 | Viewed by 215 | Submission Open

Keywords: carbons; p-doping; n-doping; Fermi level engineering; electrocatalysis; electrochemical sensors; energy conversion and storage; environmental remediation

(This special issue belongs to the Section Electrochemistry)

Bioactive Natural Products: The Potential Sources of New Drugs

edited by

Sanah Nkadimeng

and

Gerda Fouchè

submission deadline 31 May 2026 | Viewed by 203 | Submission Open

Keywords: bioactive natural compounds; chemical characterization and optimization; bioactive natural products’ safety; cytotoxicity; bioactive natural products’ mechanisms of action; biological activities in vitro and in vivo; chronic diseases; bioactive natural product in non-communicable diseases-chronic inflammation/chronic stress/drug discovery/anticancer

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

Advances in Plant-Sourced Natural Compounds as Anticancer Agents, 2nd Edition

edited by

and

submission deadline 31 May 2026 | Viewed by 173 | Submission Open

Keywords: medicinal plants; natural compounds; phytochemicals; antioxidant activity; anticancer activity; phytotherapy; drug discovery; drug delivery; pharmaceutical formulation

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

Analyses and Applications of Phenolic Compounds in Food—3rd Edition

edited by

Ana Teresa Sanches-Silva

and

Oscar Núñez

submission deadline 31 May 2026 | Viewed by 165 | Submission Open

Keywords: phenolics; extraction; identification; applications in food matrix

(This special issue belongs to the Section Food Chemistry)

Bioactive Compounds in Food: Extraction and Characterization

edited by

Michał Halagarda

and

Sascha Rohn

submission deadline 31 May 2026 | Viewed by 153 | Submission Open

Keywords: bioactive compounds; food matrices; extraction techniques; green technologies; analytical characterization; structural elucidation; stability and bioavailability; functional food applications

(This special issue belongs to the Section Food Chemistry)

Electrochemical Catalytic Conversion of Small Molecules

edited by

Xinyue Wang

Libin Zeng

and

Guandong Su

submission deadline 31 May 2026 | Viewed by 150 | Submission Open

Keywords: electrocatalysis; small molecule conversion; single-atom catalysis; mechanism study; sustainable energy

(This special issue belongs to the Section Electrochemistry)

Covalent Organic Frameworks for Energy Storage

edited by Madagonda M Vadiyar

submission deadline 31 May 2026 | Viewed by 144 | Submission Open

Keywords: covalent organic frameworks; synthesis and characterization; energy storage; supercapacitors; aqueous batteries; zinc-ion batteries; charge storage mechanisms; ex situ/in situ characterizations

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Structural Characterization by Raman Spectroscopy

edited by

Ioana Stanculescu

submission deadline 31 May 2026 | Viewed by 142 | Submission Open

Keywords: Raman; pharmaceuticals; materials research; life sciences; molecular vibrations

(This special issue belongs to the Section Analytical Chemistry)

Review Papers in Physical Chemistry

edited by

Maofa Ge

submission deadline 31 May 2026 | Viewed by 141 | Submission Open

Keywords: physical chemistry; spectroscopy; quantum chemistry; surface chemistry; molecular dynamics simulations

(This special issue belongs to the Section Physical Chemistry)

Advances in Efficient Conversion of Biomass Resources

edited by

Yu-Cai He

and

Wei Tang

submission deadline 31 May 2026 | Viewed by 126 | Submission Open

Keywords: lignocellulose biomass; food waste; algal biomass; urban solid waste; platform compound; chemobiological valorization of biomass; biotransformation and biocatalysis; biomass pretreatment; biorefining; life cycles of biomass valorization

(This special issue belongs to the Section Green Chemistry)

Molecular Crystals: Exploring Structure, Properties, and Applications

edited by

Silvano Geremia

submission deadline 31 May 2026 | Viewed by 124 | Submission Open

Keywords: molecular crystals; polymorphism; crystal growth; solid-state structure– property relationships; shape-memory and self-healing crystals; elastic– plastic crystals; materials for electronics and photonics; pharmaceutical crystalline materials

(This special issue belongs to the Section Materials Chemistry)

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