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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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The Impact of Metal Complexes with Active Small Molecules in Biological Systems

edited by

Hanna Lewandowska

and

Karolina E. Wójciuk

submission deadline 30 Sep 2025 | 2 articles | Viewed by 2648 | Submission Open

Keywords: metal complexes; active small molecules; biological systems; signaling and regulatory functions; DNA-targeted therapy; new drugs and therapies; cellular therapeutics

(This special issue belongs to the Section Inorganic Chemistry)

Advances in Computational Spectroscopy, 2nd Edition

edited by

Magdalena Sałdyka

and Małgorzata Biczysko

submission deadline 30 Sep 2025 | 4 articles | Viewed by 2619 | Submission Open

Keywords: spectroscopy; computational spectroscopy in inorganic chemistry; computational spectroscopy in bioinorganic chemistry; computational spectroscopy in biological systems; molecular and supramolecular structure; crystal structure; molecular modelling; time-independent and time-dependent approaches; molecular dynamics; density functional theory (DFT); time-dependent DFT (TD-DFT); coupled cluster (CC) approaches and composite schemes; bottom-up and top-down semi-experimental approaches

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

Recent Advances in Chromatography for Bioanalytical Applications

edited by

Irene Panderi

and

Victoria Samanidou

submission deadline 30 Sep 2025 | 1 articles | Viewed by 2444 | Submission Open

Keywords: chromatography; mass spectrometry; sample preparation; automated techniques; green analytical chemistry; bioanalysis; toxicology; doping control; food chemistry

(This special issue belongs to the Section Analytical Chemistry)

Synthesis and Application of Porphyrins, Phthalocyanines and Porphyrazines

edited by

Francesca Tessore

and Gabriele Di Carlo

submission deadline 30 Sep 2025 | 1 articles | Viewed by 2166 | Submission Open

Keywords: porphyrins; phthalocyanines; porphyrazines; catalysis; nonlinear optics; photovoltaics; artificial photosynthesis; photodynamic therapy; sensing

(This special issue belongs to the Section Organic Chemistry)

Discovery of New Natural Derived Compounds and Mechanisms for Chronic Diseases Therapy

edited by

Eduardo Sobarzo-Sánchez

and Marianela Saldías

submission deadline 30 Sep 2025 | 1 articles | Viewed by 2166 | Submission Open

Keywords: cancer therapies; natural products; biomolecular recognition; coordination chemistry; targeted drug delivery

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

Macromolecular Chemistry in Europe, 2nd Edition

edited by

Chris E. Finlayson

submission deadline 30 Sep 2025 | 2 articles | Viewed by 2119 | Submission Open

Keywords: macromolecules; synthesis and polymerization; polymer architectures; properties and structure; functional materials

(This special issue belongs to the Section Macromolecular Chemistry)

Nanotechnology Landscape in Modern Medicine

edited by

Gianina Dodi

submission deadline 30 Sep 2025 | 1 articles | Viewed by 2059 | 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)

Multifunctional Natural Ingredients in Skin Protection and Care, 2nd Edition

edited by

Anna Nowak

and

Katarzyna Gaweł-Bęben

submission deadline 30 Sep 2025 | 2 articles | Viewed by 1961 | Submission Open

Keywords: plant extracts; natural compounds; biological activity; cosmetics; antioxidant; anti-aging; skin lightening; UV-protection

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

Functional Nanomaterials and Their Applications in the Environment Remediation

edited by

Xianhua Liu

and Muhammad Irfan

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1940 | Submission Open

Keywords: nanoremediation; environmental cleanup; pollutant removal; sustainable nanomaterials; heavy metal remediation; organic pollutant degradation; nano-ecotoxicology

(This special issue belongs to the Section Materials Chemistry)

Exploring the Applications of Chromatographic Methods in Material Analysis

edited by

Tayssir Hamieh

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1788 | Submission Open

Keywords: surface energy; adsorption; Lewis’ s acid– base parameters; materials and nanomaterials; biomaterials; drugs; pharmaceuticals; carbon fibers; oxides; metals; polymers; copolymers; composites; crystals; plasticizers; explosives; nanoenergetic materials; technology; thermodynamics

(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 30 Sep 2025 | 2 articles | Viewed by 1777 | 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)

New Development in Fermented Products—Third Edition

edited by

Alessia Fazio

and

Chiara La Torre

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1716 | Submission Open

Keywords: application of microorganisms to the production of fermented food; traditional and innovative fermentation technologies; natural health benefits of fermented foods; homemade and industrial fermented products; identification and production of novel starter cultures of commercial interest; microbial biotransformation and production of active metabolites; mechanisms of action of fermented food on the microbiota

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

Pharmacological Activities of Bioactive Compounds in Plants and Foods as Therapeutic Agents

edited by Juan Kan, Dan Chen and Chao Tang

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1597 | Submission Open

Keywords: plants; foods; bioactive compounds; structural characterization; therapeutic effects; application

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

Preparation and Application of Novel Perovskite Catalysts

edited by Baofang Jin

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1468 | Submission Open

Keywords: perovskite-type oxides; doping; high performance; remarkable resistance; thermal stability

(This special issue belongs to the Section Green Chemistry)

Nutritional Components of Non-Animal Origin Foods: Structure, Synthesis, Functions and Mechanisms

edited by

Jie Zhang

, Zhengyi Wei and Tiehua Zhang

submission deadline 30 Sep 2025 | 2 articles | Viewed by 1410 | Submission Open

Keywords: non-animal origin foods; nutritional components; bioactive compounds; human diseases; health benefits; epidemiological and clinical studies; action mechanism

(This special issue belongs to the Section Food Chemistry)

Density Functional Theory: From Fundamentals to Applications

edited by

Yingang Gui

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1331 | Submission Open

Keywords: DFT; theoretical and computational chemistry; new functional materials; surface modification; structural optimization; electronic proprieties; chemical bond; structure; and reactivity; gas sensing; adsorption and desorption; nanomaterials and nanotechnology

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

Featured Review Papers in Food Chemistry—2nd Edition

edited by

Fei Tao

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1048 | Submission Open

Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security

(This special issue belongs to the Section Food Chemistry)

Anti-inflammatory and Antioxidant Activities of Bioactive Compounds in Plants

edited by

Tanya I. Topouzova-Hristova

and

Dimitar Djilianov

submission deadline 30 Sep 2025 | 1 articles | Viewed by 1044 | Submission Open

Keywords: plant secondary metabolites; polyphenols; flavonoids; anti-inflammatory activity; antioxidants; molecular pharmacology

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

Hybrid Sol-Gel Materials

edited by

Guido Kickelbick

submission deadline 30 Sep 2025 | 1 articles | Viewed by 948 | Submission Open

Keywords: hybrid materials; sol– gel; synthesis; characterisation; applications

(This special issue belongs to the Section Materials Chemistry)

Biodegradation of Conventional and Emerging Pollutants, 2nd Edition

edited by

Łukasz Chrzanowski

and Tomas Cajthaml

submission deadline 30 Sep 2025 | 1 articles | Viewed by 907 | Submission Open

Keywords: organic pollutants; inorganic pollutants; environmental monitoring; bioremediation

(This special issue belongs to the Section Green Chemistry)

Ligand-Based Design and Optimization of Antibacterial Agents: From Structure to Activity

edited by

Cleydson Breno Rodrigues dos Santos

submission deadline 30 Sep 2025 | 1 articles | Viewed by 793 | Submission Open

Keywords: ligand-based drug design (LBDD); antibacterial agents; quantitative structure– activity relationship (QSAR); pharmacophore modeling; virtual screening; cheminformatics; molecular optimization

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Chemical Innovations for Sustainable Water and Wastewater Treatment

edited by Mohammed J.K. Bashir

submission deadline 30 Sep 2025 | 1 articles | Viewed by 764 | Submission Open

Keywords: advanced oxidation processes; catalytic degradation; nanomaterials; green chemistry; pollutant mineralization; ionic liquid applications; smart adsorbents

(This special issue belongs to the Section Applied Chemistry)

A New Perspective on the Determination and Removal of Pollutants in the Environment, 2nd Edition

edited by

Urszula Kotowska

submission deadline 30 Sep 2025 | 1 articles | Viewed by 756 | Submission Open

Keywords: organic pollutants; toxic metals; wastewater; natural environment; determination methods; phytoremediation; adsorption; microplastic; toxicity; environmental risk

(This special issue belongs to the Section Green Chemistry)

Advances in Functional Foods, 2nd Edition

edited by

Jolanta Sereikaitė

submission deadline 30 Sep 2025 | 1 articles | Viewed by 734 | Submission Open

Keywords: functional food ingredients; delivery of bioactives; bioavailability of bioactives; technological aspects; health benefits; personalized nutrition; health claims

(This special issue belongs to the Section Food Chemistry)

Trends of Drug Synthesis in Medicinal Chemistry

edited by

Cheng-Hua Jin

submission deadline 30 Sep 2025 | 1 articles | Viewed by 733 | Submission Open

Keywords: drug synthesis; anticancer agents; antimicrobial resistance; green chemistry; AI-driven design; targeted delivery systems; continuous-flow technology; structure– activity optimization; multidisciplinary collaboration

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Extraction Techniques for Elemental Analysis

edited by Ricardo Cassella

submission deadline 30 Sep 2025 | 1 articles | Viewed by 665 | Submission Open

Keywords: sample preparation; microextraction; liquid— liquid extraction; solid-phase extraction; elemental analysis

(This special issue belongs to the Section Analytical Chemistry)

Bioactive Compounds against Parasites, Bacteria and Related Diseases—Third Edition

edited by

Valentina Virginia Ebani

and

Francesca Mancianti

submission deadline 30 Sep 2025 | Viewed by 621 | Submission Open

Keywords: bioactive compounds; essential oils; herbal extracts; fungi; mycoses; helmints parasite; protozoa parasite; arthropods parasite; parasitoses; anti-drug-resistant parasites; antifungal-resistant molds; yeast; Gram-positive bacteria; Gram-negative bacteria; antibiotic-resistant bacteria; bacterial infections; animal infections; human infections; zoomotic infections

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

Organoantimony Chemistry

edited by Renhua Qiu and

Longzhi Zhu

submission deadline 30 Sep 2025 | Viewed by 524 | Submission Open

Keywords: antimony chemistry; organostibines; C– Sb bond formation; organometallic chemistry; utilization of antimony resources; removal of antimony contaminants; bioactive antimony compounds

(This special issue belongs to the Section Organic Chemistry)

New Horizons for Deep Eutectic Solvents

edited by

Marco Chiarini

submission deadline 30 Sep 2025 | Viewed by 414 | Submission Open

Keywords: deep eutectic solvent; natural deep eutectic solvents; green solvent; solvent design; hydrogen bond acceptor; hydrogen bond donor; hole theory; phase behavior; eutectic point; physicochemical properties; supramolecular network; separation processes; energy storage devices; templated synthesis

(This special issue belongs to the Section Green Chemistry)

Peptide and Protein-Based Materials: Technology and Applications

edited by

Mariano Venanzi

submission deadline 30 Sep 2025 | Viewed by 397 | Submission Open

Keywords: bionanotechnology; nanobiomedicine; peptide materials; peptide nanostructures; protein materials; protein technology

(This special issue belongs to the Section Medicinal Chemistry)

Metalloenzyme Structure and Function

edited by Yifan Wang and

Ian Davis

submission deadline 30 Sep 2025 | Viewed by 388 | Submission Open

Keywords: catalytic mechanisms; structure– function relationships; enzymatic applications; novel metalloenzymes; biocatalysts; enzyme engineering

(This special issue belongs to the Section Bioorganic Chemistry)

Recent Advancements in Solid Electrolytes for Rechargeable Solid-State Batteries

edited by Adil Saleem and

Leon L. Shaw

submission deadline 30 Sep 2025 | Viewed by 343 | Submission Open

Keywords: energy storage; rechargeable batteries; solid state electrolytes; lithium dendrites; battery safety; energy efficiency

Food Chemistry in Europe, 2nd Edition

edited by

and

submission deadline 30 Sep 2025 | Viewed by 340 | Submission Open

Keywords: food chemistry; food process; food additives; food analysis; food safety; metabolomics; data analytics

(This special issue belongs to the Section Food Chemistry)

Emerging Drug Targets: New Challenges for the Medicinal Chemist

edited by

Giovanni Ribaudo

submission deadline 30 Sep 2025 | Viewed by 329 | Submission Open

Keywords: drug repurposing; drug repositioning; drug design; target validation; molecular modeling; interaction studies; organic synthesis; artificial intelligence

(This special issue belongs to the Section Medicinal Chemistry)

Analysis of Natural Volatile Organic Compounds (NVOCs)

edited by

Igor Jerković

submission deadline 30 Sep 2025 | Viewed by 309 | 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)

Design and Synthesis of Antiviral Drugs Targeting Enzymes of Emerging RNA Viruses

edited by

Angela Corona

and

Antonio Lupia

submission deadline 30 Sep 2025 | Viewed by 306 | Submission Open

Keywords: antivirals; RNA viruses; viral replication; drug design; enzyme inhibitors

(This special issue belongs to the Section Medicinal Chemistry)

New Developments in Green Catalysis for Organic Synthesis

edited by

Sreekantha B. Jonnalagadda

and

Suresh Maddila

submission deadline 30 Sep 2025 | Viewed by 305 | Submission Open

Keywords: green catalysis; organic synthesis; photocatalysis; metal-catalysis; bio-catalysis; organo-catalysis

(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 30 Sep 2025 | Viewed by 287 | 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)

Terpenes and Their Derivatives: From Nature to Medical Applications

edited by

Linfu Liang

Anwar Rayan

and

Barbara De Filippis

submission deadline 30 Sep 2025 | Viewed by 281 | Submission Open

Keywords: terpenes; plants; animals; microbes; extraction technologies; structure elucidation; chemical synthesis and biosynthesis; biological investigation

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

Sol-Gel Derived Nanostructured Materials with Innovative Characteristics and Diversified Applications, 2nd Edition

edited by

Mariana Ghica

and Andreia Romeiro

submission deadline 30 Sep 2025 | Viewed by 272 | Submission Open

Keywords: aerogels; nanocomposites; biomaterials; green; life-cycle assessment; functional; modelling; simulation; scale up

(This special issue belongs to the Section Materials Chemistry)

Study on Extraction and Chemical Constituents of Natural Extracts, 2nd Edition

edited by

Francesco Epifano

Salvatore Genovese

and

Serena Fiorito

submission deadline 30 Sep 2025 | Viewed by 268 | Submission Open

Keywords: pharmacological effects; extracts from plants; fungus; and other living organisms; chemical constituents; isolation

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

Advanced Oxidation Processes (AOPs) for Deep Removal of Emerging Pollutants, 2nd Edition

edited by Qiyu Lian

submission deadline 30 Sep 2025 | Viewed by 259 | Submission Open

Keywords: emerging pollutants; advanced oxidation processes; photocatalysis; catalytic ozonation or ozonation; fenton-like catalysis; piezo-catalysis; electrochemical-catalysis

(This special issue belongs to the Section Green Chemistry)

Bee Product Chemistry: Identification and Characterization of Natural Compounds, 2nd Edition

edited by

Simona Sagona

submission deadline 30 Sep 2025 | Viewed by 243 | Submission Open

Keywords: honey; wax; bee pollen; venom; propolis; royal jelly; bee larvae

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

Recent Advances in Fluorescent Probes: Design, Synthesis, Properties and Application

edited by Zhaoyang Wang and Yancheng Wu

submission deadline 30 Sep 2025 | Viewed by 235 | Submission Open

Keywords: fluorescent probes; fluorescent sensors; fluorescent analytical technology; chemical detection; biological detection; fluorescence

(This special issue belongs to the Section Photochemistry)

Pharmacological Bioassays of Secondary Metabolites of Medicinal Plants

edited by

José L. Martínez

and

Luigi Milella

submission deadline 30 Sep 2025 | Viewed by 227 | Submission Open

Keywords: pharmacology of medicinal plants; pharmacology of natural products; medicinal plants; mechanisms of action (cardiovascular; nervous system; digestive; etc.); active principles in diseases (Parkinson's; cancer; ulcers; etc.); isolation and bioassays of medicinal plant extracts

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

Fabrication, Properties and Applications of Perovskite Solar Cells

edited by Wenxin Mao

submission deadline 30 Sep 2025 | Viewed by 221 | Submission Open

Keywords: perovskite solar cells; 2D perovskites; stability; bandgap; photoluminescence; layered structure

(This special issue belongs to the Section Materials Chemistry)

Nanomaterials for Clean Energy Applications

edited by Xiaokun Yang

submission deadline 30 Sep 2025 | Viewed by 218 | Submission Open

Keywords: nanomaterials; clean energy technologies; hydrogen production; fuel cells; catalysts; carbon capture

(This special issue belongs to the Section Applied Chemistry)

Nanomaterials in Cancer Therapy: Synthesis, Mechanisms, and Applications—2nd Edition

edited by

Guangbao Yang

and

Dongdong Wang

submission deadline 30 Sep 2025 | Viewed by 203 | Submission Open

Keywords: nanotechnology; inorganic nanoparticles; organic nanoparticles; nanomedicine; drug delivery; biomedical imaging; cancer therapy; theranostic

(This special issue belongs to the Section Nanochemistry)

Green Chemistry in Portugal, 2nd Edition

edited by