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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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Recent Advances in the Toxicology and Safety of Medicinal Plants and Natural Products

edited by

Elżbieta Studzińska-Sroka

submission deadline 31 Mar 2026 | 4 articles | Viewed by 6695 | Submission Open

Keywords: toxicity of natural compounds and plant extracts; safety of natural products; drug development; in silico modeling; in vitro study; in vivo study

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

Quantum Chemical Calculations of Molecular Reaction Processes, 2nd Edition

edited by

Naoki Kishimoto

and Shiro Koseki

submission deadline 31 Mar 2026 | 6 articles | Viewed by 6562 | Submission Open

Keywords: computational chemistry; electronic structure; MO theory; DFT calculation; reaction process; Ab initio molecular dynamics; molecular design

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

Extraction, Isolation, and Identification of Bioactive Compounds from Plants

edited by

Gina Rosalinda De Nicola

and

Sabine Montaut

submission deadline 31 Mar 2026 | 4 articles | Viewed by 5585 | Submission Open

Keywords: natural products; extraction methods; isolation methods; chromatography; chemical characterization; bioactivity; antioxidant; antimicrobial; antiinflammation; bio-guided assay; biopesticides; biostimulants; nutraceuticals

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

Molecular Docking in Drug Discovery, 2nd Edition

edited by

Eleni Pontiki

submission deadline 31 Mar 2026 | 5 articles | Viewed by 5422 | Submission Open

Keywords: computer aided drug design; drug discovery; molecular docking; structure– activity relationships; drug design

(This special issue belongs to the Section Medicinal Chemistry)

Advances in the Application of Nanoparticles in Antimicrobial Research

edited by

Paulina Laura Páez

and

Maria Luisa Saladino

submission deadline 31 Mar 2026 | 3 articles | Viewed by 5197 | Submission Open

Keywords: nanoparticles; nanobiomaterials; antimicrobial activity; antimicrobial resistance; photodynamic antimicrobial therapy; innovation; drug delivery; sustainability

(This special issue belongs to the Section Nanochemistry)

Exclusive Papers of Editorial Board Members and Invited Scholars in “Materials Chemistry”, 2nd Edition

edited by

Baljinder Kandola

submission deadline 31 Mar 2026 | 4 articles | Viewed by 4794 | Submission Open

Keywords: biomaterials; nanomaterials; hybrid materials; core-shell materials; thin films; self-assembling systems; hydrogels; sensors and biosensors

(This special issue belongs to the Section Materials Chemistry)

Porous Carbons for CO₂ Adsorption and Capture

edited by

Guojie Zhang

and Jinsong Shi

submission deadline 31 Mar 2026 | 4 articles | Viewed by 4646 | Submission Open

Keywords: porous carbons; carbon nanotubes; graphene oxide; carbon nanomaterials; activated carbons; adsorbents; CO2 adsorption; CO2 capture; physisorption; chemical activation; physical activation; surface functionalization; pore structure design; carbon doping; nitrogen doping; CO2 capture efficiency; CO2 selectivity; direct air capture (DAC); CO2 storage; industrial CO2 capture; carbon capture and utilization (CCU); CO2 adsorption mechanisms; adsorption kinetics; sustainable materials; adsorbent regeneration; machine learning in material design

(This special issue belongs to the Section Materials Chemistry)

Essential Oils: Chemical Composition, Bioactive, and Application

edited by

Maria Carla Marcotullio

and Nai-Wen Tsao

submission deadline 31 Mar 2026 | 4 articles | Viewed by 4442 | Submission Open

Keywords: essential oils; chemical constituents; biological activities; extraction methods; analytical chemistry; therapeutic effects; antimicrobial activity; drug delivery

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

Chromatography—The Ultimate Analytical Tool, 3rd Edition

edited by

Victoria Samanidou

and

Natasa Kalogiouri

submission deadline 31 Mar 2026 | 3 articles | Viewed by 4234 | Submission Open

Keywords: chromatography; high-performance liquid chromatography; ultra-high-performance liquid chromatography; gas chromatography; two-dimensional gas chromatography; two-dimensional liquid chromatography; paper chromatography; liquid chromatography; preparative chromatography; supercritical fluid chromatography; thin-layer chromatography

(This special issue belongs to the Section Analytical Chemistry)

Feature Papers in Organic Chemistry—Third Edition

edited by

Roman Dembinski

Jacek Nycz

and

Ewa Radzikowska-Cieciura

submission deadline 31 Mar 2026 | 7 articles | Viewed by 4140 | Submission Open

Keywords: organic synthesis; organic chemistry research; synthesis methods; theoretical study; reaction mechanisms; catalysis

(This special issue belongs to the Section Organic Chemistry)

Application of Analytical Chemistry in Food Science

edited by

Sabrina Moret

Laura Barp

and

José Pinela

submission deadline 31 Mar 2026 | 3 articles | Viewed by 3828 | Submission Open

Keywords: analytical chemistry; food safety; food authenticity; food contaminants; spectroscopic methods; chromatographic techniques; advanced sample preparation; sustainability in food analysis

(This special issue belongs to the Section Food Chemistry)

Recent Experimental and Theoretical Advances of Corrosion Protection

edited by

Araceli Espinoza-Vázquez

, Miguel Castro, Guillermo E. Negrón-Silva and

Alan Joel Miralrio Pineda

submission deadline 31 Mar 2026 | 2 articles | Viewed by 3612 | Submission Open

Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings

(This special issue belongs to the Section Electrochemistry)

Advanced Chemical Innovations for Sustainable Water and Wastewater Treatment

edited by Mohammed J.K. Bashir

submission deadline 31 Mar 2026 | 2 articles | Viewed by 3332 | 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)

30th Anniversary of the MOF Concept

edited by

Jun Liang

and

Christoph Janiak

submission deadline 31 Mar 2026 | 4 articles | Viewed by 3157 | Submission Open

Keywords: metal– organic frameworks; gas storage and separation; catalysis; drug delivery; sensing and detection; energy applications

(This special issue belongs to the Section Organometallic Chemistry)

Bioactive Compounds in Plants: Extraction and Application

edited by

Bruna Aparecida Souza Machado

and

Klebson Santos

submission deadline 31 Mar 2026 | 5 articles | Viewed by 2739 | Submission Open

Keywords: bioactive compounds; extraction; biological activities

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

Exploring the Applications of Chromatographic Methods in Material Analysis

edited by

Tayssir Hamieh

submission deadline 31 Mar 2026 | 2 articles | Viewed by 2695 | 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)

Nano and Micro Materials in Green Chemistry

edited by Ruijin Yu

submission deadline 31 Mar 2026 | 3 articles | Viewed by 2531 | Submission Open

Keywords: green chemistry; biosynthesis and green synthesis; nanomaterials and micro-materials; biohybrid materials; nanostructured electrodes; chemical sustainability assessment

(This special issue belongs to the Section Materials Chemistry)

Trends of Drug Synthesis in Medicinal Chemistry

edited by

Cheng-Hua Jin

submission deadline 31 Mar 2026 | 3 articles | Viewed by 2521 | 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)

Biologically Active Compounds in Functional Foods

edited by

Dominika Średnicka-Tober

submission deadline 31 Mar 2026 | 2 articles | Viewed by 2392 | Submission Open

Keywords: functional foods; bioactive compounds; vitamins; antioxidants; phenolics; functional ingredients; functional properties; fortified foods; enriched foods; food chemistry; bioavailability; food matrix

(This special issue belongs to the Section Food Chemistry)

Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms

edited by

Leonardo Oliveira Reis

and Lívia Bitencourt Pascoal

submission deadline 31 Mar 2026 | 1 articles | Viewed by 2258 | Submission Open

Keywords: discovery of small-molecule inhibitors targeting oncogenic kinases and transcription factors; mechanisms of action and resistance for current and emerging cancer drugs; targeting DNA damage response pathways (e.g.; PARP; ATR; ATM inhibitors); molecular crosstalk between tumor cells and the immune system; role of epigenetics in cancer drug resistance and sensitivity; tumor metabolism as a therapeutic target in Immunochemistry; structure-based drug design and virtual screening; antibody– drug conjugates and novel biologic therapeutics; RNA-targeting therapeutics and mRNA-based cancer vaccines; advances in PROTACs and targeted protein degradation; application of AI and computational chemical biology in drug discovery

(This special issue belongs to the Section Chemical Biology)

Graphene and Graphene-Related Materials for Energy and Environment: Synthesis and Application

edited by

Saverio Latorrata

and

Andrea Basso Peressut

submission deadline 31 Mar 2026 | 1 articles | Viewed by 2167 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

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

edited by

Urszula Kotowska

submission deadline 31 Mar 2026 | 1 articles | Viewed by 1986 | 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 Trace Element Analysis: Techniques and Applications

edited by

Davide Spanu

submission deadline 31 Mar 2026 | 3 articles | Viewed by 1873 | Submission Open

Keywords: trace element analysis; speciation techniques; environmental monitoring; atomic spectrometry; mass spectrometry; chromatography; bioavailability; environmental impact

(This special issue belongs to the Section Analytical Chemistry)

NMR and MRI in Materials Analysis: Opportunities and Challenges

edited by

Igor Serša

submission deadline 31 Mar 2026 | 3 articles | Viewed by 1842 | Submission Open

Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magnetic resonance in analysis of pharmaceutical products; contrast agents; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries and other energy storage devices

Current Emerging Trends of Extraction and Encapsulation in Food, 2nd Edition

edited by

Seyed Mohammad Taghi Gharibzahedi

submission deadline 31 Mar 2026 | 2 articles | Viewed by 1663 | Submission Open

Keywords: extraction; encapsulation; drying; emulsion; targeted delivery; stability; bioactive compounds; nonthermal technologies; bioavailability; functional foods

(This special issue belongs to the Section Food Chemistry)

Novel Nanomaterials: Sensing Development and Applications

edited by

Peter Feng

and

Andrew F. Zhou

submission deadline 31 Mar 2026 | 1 articles | Viewed by 1640 | Submission Open

Keywords: biosensor; nanomaterials; material design; nanocomposite; sensor; sensor applications

(This special issue belongs to the Section Materials Chemistry)

Bioactive Metabolites from Marine Invertebrates and Their Associated Microorganisms—in Celebration of Professors Longmei Zeng and Jingyu Su’s 95th Birthday

edited by

Yonghong Liu

Cui-Xian Zhang

and Shihai Xu

submission deadline 31 Mar 2026 | 1 articles | Viewed by 1578 | Submission Open

Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms

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

Photo- and Sonodynamic Antimicrobial and Anticancer Compounds

edited by

Marina Nisnevitch

and

Faina Nakonechny

submission deadline 31 Mar 2026 | 2 articles | Viewed by 1403 | Submission Open

Keywords: photosensitizers; sonosensitizers; photodynamic treatment; sonodynamic treatment; antimicrobials; anticancer treatment

(This special issue belongs to the Section Medicinal Chemistry)

Biobased Functional Materials for Sustainable Food Packaging and Preservation

edited by

Sabina Galus

Monika Janowicz

and

Magdalena Karwacka

submission deadline 31 Mar 2026 | 2 articles | Viewed by 1396 | Submission Open

Keywords: edible films; active packaging; intelligent packaging; edible coatings; sustainable packaging; food quality

(This special issue belongs to the Section Food Chemistry)

Novel Nanomaterials for Pollution Control and Environmental Remediation

edited by

Daniela Cristina Culita

submission deadline 31 Mar 2026 | 2 articles | Viewed by 1336 | Submission Open

Keywords: functional nanomaterials; environmental pollution; remediation technologies; heavy metals removal; organic pollutants; emerging contaminants; pollution control

(This special issue belongs to the Section Green Chemistry)

Recent Progress in Environmental Analytical Chemistry

edited by

Tony Venelinov

and

Stefan Tsakovski

submission deadline 31 Mar 2026 | 1 articles | Viewed by 1266 | Submission Open

Keywords: environmental monitoring; water; air and soil pollution; pollution analysis; environmental toxicity; analytical chemistry; chemometrics; method development for analysis of environmental compartments; method validation

(This special issue belongs to the Section Analytical Chemistry)

Small Molecules Targeting Age-Related Diseases

edited by

Lara Testai

and Marco Lessi

submission deadline 31 Mar 2026 | 1 articles | Viewed by 1039 | Submission Open

Keywords: age-related diseases; small molecules; cardiovascular diseases; neurodegenerative diseases; metabolic disorders

(This special issue belongs to the Section Medicinal Chemistry)

Applications of Bioactive Ingredients in Grape By-products

edited by

Tzonka Ivanova Godjevargova

and Yavor Lukanov Ivanov

submission deadline 31 Mar 2026 | 1 articles | Viewed by 1019 | Submission Open

Keywords: bioactive compounds; grape seeds; skins; and pomace; biological activity; application; medicine; cosmetics; pharmacy; food industry

(This special issue belongs to the Section Food Chemistry)

Photocatalysis for Organic Pollutants Degradation

edited by

Wanhong Ma

and

Zhen Wan

submission deadline 31 Mar 2026 | 1 articles | Viewed by 864 | Submission Open

Keywords: photocatalytic degradation of organic pollutants in waters; design and preparation of photocatalyst; homo- and heterogeneous photo-catalyzed process; intermediate fragments and intermediate organic pollutants; reactive oxygen species (ROS)

(This special issue belongs to the Section Photochemistry)

Design and Synthesis of Organic Materials for OLED Applications

edited by Dalius Gudeika

submission deadline 31 Mar 2026 | 1 articles | Viewed by 855 | Submission Open

Keywords: OLED; TADF; DFT calculations; organic light-emitting transistors (OLETs); optoelectronics; emissive materials; multilayer device architectures

(This special issue belongs to the Section Applied Chemistry)

Stable Isotope Techniques Across Chemistry: Methods, Applications, and Perspectives

edited by

Matteo Perini

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

Keywords: stable isotope analysis; compound specific stable isotopes; authenticity; traceability; biogenic isotopic composition; biogeochemistry; geochemistry; molecular archaeometry; environmental chemistry

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Food Analysis, 2nd Edition

edited by

Rosalía López-Ruiz

Francisco Javier Arrebola

and

Jesus Marin Saez

submission deadline 31 Mar 2026 | 1 articles | Viewed by 739 | Submission Open

Keywords: food; contaminants; bioactive compounds; chromatography; detection; analytical techniques; analysis

(This special issue belongs to the Section Analytical Chemistry)

Featured Review Papers in Applied Chemistry

edited by

Teobald Kupka

submission deadline 31 Mar 2026 | 1 articles | Viewed by 580 | Submission Open

Keywords: applied chemistry; new molecules and natural materials; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry; theoretical chemistry

Naturally Inspired Molecules as Inhibitors in Drug Discovery, 2nd Edition

edited by

Alessandra Bisi

and

Federica Belluti

submission deadline 31 Mar 2026 | 1 articles | Viewed by 578 | Submission Open

Keywords: natural products; drug design; privileged structures; enzyme inhibition; bioactive compounds; bioinspired compounds; structure– activity relationship (SAR); biological activity; organic synthesis

(This special issue belongs to the Section Medicinal Chemistry)

Advances in the Detection and Removal of Organic Residue from Water

edited by

Tamara Lazarevic-Pasti

Tamara Tasić

and

Vedran Milanković

submission deadline 31 Mar 2026 | 1 articles | Viewed by 571 | Submission Open

Keywords: pollutants; water treatment; sustainable remediation; functionalized materials; adsorption; photocatalysis; advanced oxidation processes; environmental health

(This special issue belongs to the Section Applied Chemistry)

Synthesis and Application of 1,2,3-Triazole Derivatives

edited by

Yubo Jiang

and

Guiping Qin

submission deadline 31 Mar 2026 | 1 articles | Viewed by 544 | Submission Open

Keywords: 1; 2; 3-triazoles; synthesis; modification; transannulation; application

(This special issue belongs to the Section Organic Chemistry)

Food Chemistry in Europe, 2nd Edition

edited by

and

submission deadline 31 Mar 2026 | Viewed by 541 | 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)

Innovations and Breakthroughs in Bifunctional Molecules

edited by

Xiaoli Xu

submission deadline 31 Mar 2026 | 1 articles | Viewed by 481 | Submission Open

Keywords: bifunctional molecules; PROTAC; molecular glues; LYTAC; AUTAC; RIBOTAC

(This special issue belongs to the Section Medicinal Chemistry)

Application of Analytical Methods in Food, Drug, and Natural Products Research: 3rd Edition

edited by

Alessandra Biancolillo

and

Angelo Antonio D'Archivio

submission deadline 31 Mar 2026 | 1 articles | Viewed by 453 | Submission Open

Keywords: food characterization; food quality check; natural products’ characterization; natural products’ properties; novel analytical methods in food/natural products analysis; drugs characterization; drugs quality check

(This special issue belongs to the Section Analytical Chemistry)

Designing Eco-Friendly Heterogeneous Catalysts for Green Oxidation Reactions

edited by

Rosaria Schettini

and

Maria Rosaria Acocella

submission deadline 31 Mar 2026 | Viewed by 443 | Submission Open

Keywords: catalyst design; catalyst synthesis; sustainability; green chemistry; oxidation

(This special issue belongs to the Section Green Chemistry)

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

edited by

Francesco Epifano

Salvatore Genovese

and

Serena Fiorito

submission deadline 31 Mar 2026 | Viewed by 392 | 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)

Functional Biomaterials—Structure, Function, and Applications

edited by

Feng Wang

submission deadline 31 Mar 2026 | Viewed by 391 | Submission Open

Keywords: biomaterials; tissue regeneration; drug delivery; hierarchical scaffolds; dynamic hydrogels; hybrid nanocomposites; bioactive components; targeted therapeutics; personalized medicine; biomedical engineering

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

edited by

Mariana Ghica

and Andreia Romeiro

submission deadline 31 Mar 2026 | Viewed by 368 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Deep Eutectic Solvents: Design, Characterization, and Applications

edited by

Maciej Przybyłek

Piotr Cysewski

and

Tomasz Jeliński

submission deadline 31 Mar 2026 | Viewed by 348 | Submission Open

Keywords: deep eutectic solvents; solubility enhancement; hydrogen bonding interactions; computational chemistry; thermodynamic modeling; gas capture (CO2; SO2; HCl); pharmaceutical solubilization; structure– property relationships

(This special issue belongs to the Section Applied Chemistry)

Advances in Extraction, Characterization and Application of High-Value Compounds

edited by