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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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NMR and MRI in Materials Analysis: Opportunities and Challenges

edited by

Igor Serša

submission deadline 31 Mar 2026 | 1 articles | Viewed by 826 | 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 | 1 articles | Viewed by 747 | 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)

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 686 | 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)

Biobased Functional Materials for Sustainable Food Packaging and Preservation

edited by

Sabina Galus

Monika Janowicz

and

Magdalena Karwacka

submission deadline 31 Mar 2026 | 1 articles | Viewed by 648 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

Feature Papers in Organic Chemistry—Third Edition

edited by

Roman Dembinski

and

Jacek Nycz

submission deadline 31 Mar 2026 | 1 articles | Viewed by 609 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Photocatalysis for Organic Pollutants Degradation

edited by

Wanhong Ma

submission deadline 31 Mar 2026 | 1 articles | Viewed by 507 | 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)

Advances in Trace Element Analysis: Techniques and Applications

edited by

Davide Spanu

submission deadline 31 Mar 2026 | 1 articles | Viewed by 454 | 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)

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

edited by

Matteo Perini

submission deadline 31 Mar 2026 | 1 articles | Viewed by 453 | 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)

Novel Nanomaterials for Pollution Control and Environmental Remediation

edited by

Daniela Cristina Culita

submission deadline 31 Mar 2026 | 1 articles | Viewed by 438 | 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)

Food Chemistry in Europe, 2nd Edition

edited by

and

submission deadline 31 Mar 2026 | Viewed by 430 | 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)

Designing Eco-Friendly Heterogeneous Catalysts for Green Oxidation Reactions

edited by

Rosaria Schettini

and

Maria Rosaria Acocella

submission deadline 31 Mar 2026 | Viewed by 420 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Small Molecules Targeting Age-Related Diseases

edited by

Lara Testai

and Marco Lessi

submission deadline 31 Mar 2026 | 1 articles | Viewed by 379 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Functional Biomaterials—Structure, Function, and Applications

edited by

Feng Wang

submission deadline 31 Mar 2026 | Viewed by 350 | Submission Open

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

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 314 | 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)

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 311 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Polymeric Nano-Based Drug Delivery Systems

edited by

René Darío Peralta-Rodríguez

submission deadline 31 Mar 2026 | Viewed by 298 | Submission Open

Keywords: nanotechnology; polymers; biopolymers; drug delivery; encapsulation; essential oils; blood-brain barrier

(This special issue belongs to the Section Macromolecular Chemistry)

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

edited by

Alessandra Bisi

and

Federica Belluti

submission deadline 31 Mar 2026 | Viewed by 280 | 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)

Bioactive Compounds in Plants: Extraction and Application

edited by

Bruna Aparecida Souza Machado

and

Klebson Santos

submission deadline 31 Mar 2026 | 1 articles | Viewed by 251 | Submission Open

Keywords: bioactive compounds; extraction; biological activities

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

Deep Eutectic Solvents: Design, Characterization, and Applications

edited by

Maciej Przybyłek

Piotr Cysewski

and

Tomasz Jeliński

submission deadline 31 Mar 2026 | Viewed by 240 | 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)

Challenges and Advances in Green Analytical Chemistry

edited by Hakim Faraji,

Miguel Ángel Rodríguez-Delgado

Bárbara Socas-Rodríguez

and

Antonio V. Herrera-Herrera

submission deadline 31 Mar 2026 | Viewed by 227 | Submission Open

Keywords: green analytical chemistry; miniaturized extraction; nanomaterials; chromatography; mass spectrometry; environmental analysis; food analysis; bioanalytical chemistry; sustainability; novel methods

The Role of Transition Metal Compounds in Energy Conversion

edited by

Xin Liu

Tao Hu

and

Huimin Guo

submission deadline 31 Mar 2026 | Viewed by 225 | Submission Open

Keywords: carrier density; electrode materials; energy conversion and storage; layered transition metal dichalcogenides; porous materials; MXene; fuel cells; batteries; supercapacitors; hydrogen production; energy storage and distribution; CO2 reduction

(This special issue belongs to the Section Electrochemistry)

Featured Review Papers in Applied Chemistry

edited by

Teobald Kupka

submission deadline 31 Mar 2026 | Viewed by 212 | 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

Bioactive Compounds in Food and Cosmetics Processing

edited by Katarzyna Grzelak-Błaszczyk and

Anna Sykuła

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

Keywords: bioactive compounds; polyphenols; food processing; cosmetics processing; nutricosmetics; structural elucidation; structure– activity relationships

Advances in Conversion of Biomass

edited by

Li Guo

and Anjani Ravi Kiran Gollakota

submission deadline 31 Mar 2026 | Viewed by 187 | Submission Open

Keywords: biomass conversion; bio-based material; catalyst design; heterogeneous catalysis; enzyme catalysis

(This special issue belongs to the Section Green Chemistry)

Design and Synthesis of Organic Materials for OLED Applications

edited by Dalius Gudeika

submission deadline 31 Mar 2026 | Viewed by 183 | 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)

Photo- and Sonodynamic Antimicrobial and Anticancer Compounds

edited by

Marina Nisnevitch

and

Faina Nakonechny

submission deadline 31 Mar 2026 | Viewed by 181 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis and Application of Disulfide Compounds

edited by

Goreti Ribeiro Morais

and

Jinlin He

submission deadline 31 Mar 2026 | Viewed by 177 | Submission Open

Keywords: organic chemistry; poly(disulfide)s; dithioglycosides; cyclization of peptides; drug discovery; chemical biology; prodrug development; dynamic and recyclable material

(This special issue belongs to the Section Medicinal Chemistry)

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

edited by

Yubo Jiang

and

Guiping Qin

submission deadline 31 Mar 2026 | Viewed by 169 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Nanocellulose-Based Materials: Production and Applications

edited by

Wenhua Gao

and

Jinpeng Li

submission deadline 31 Mar 2026 | Viewed by 164 | Submission Open

Keywords: nanocellulose; preparation; mechanical methods; chemical methods; biological methods; application; medical and biotechnology; composite materials; food industry; optical devices; sensors

(This special issue belongs to the Section Materials Chemistry)

A Themed Issue in Honor of Professor Hans-Joachim Knölker: Creator of the Knölker Complex

edited by

Jean‐Luc Renaud

submission deadline 31 Mar 2026 | Viewed by 146 | Submission Open

Keywords: hydrogenation; dehydrogenation; oxidation; reduction; alkylation; coupling reaction; organometallic synthesis; bifunctional complex

(This special issue belongs to the Section Organometallic Chemistry)

Recent Advances in Fragment-Based Drug Discovery

edited by

Congbao Kang

and Weijun Xu

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

Keywords: fragment-based screening; fragment-based drug design; structure biology; drug discovery; protein– ligand interactions; structure-based drug design; computation-based drug design; AI-guided drug discovery

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Analytics for the Discovery and Structural Elucidation of Bioactive Natural Products from Biodiversity

edited by

Valdir Florencio Da Veiga Junior

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

Keywords: natural products; chemodiversity; biodiversity; mass spectrometry; chromatography

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

Chemical Structures and Bioactivities of Natural Products Against Inflammation and Cancer

edited by

Xun Song

Guangxin Chen

and

Chi-shing Tai

submission deadline 31 Mar 2026 | Viewed by 140 | Submission Open

Keywords: anti-inflammatory; anticancer; antitumor; natural products; drug development

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

Advances in Antibacterial and Antifungal Peptide-Based Agents

edited by

Ewa Ciszkowicz

and

Aleksandra Bocian

submission deadline 31 Mar 2026 | Viewed by 134 | Submission Open

Keywords: antimicrobial compounds; antifungal compounds; natural products; synthetic compounds; novel antibiotics; antifungal and antimicrobial drugs; antimicrobial peptides (AMPs)

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Compounds from Plants: Identification, Characterization, and Pharmacological Activity

edited by

José Ángel López-Valenzuela

María Fernanda Quintero-Soto

Nancy Yareli Salazar-Salas

and

Karen V. Pineda-Hidalgo

submission deadline 31 Mar 2026 | Viewed by 132 | Submission Open

Keywords: antioxidants; medicinal plants; bioactive compounds; phytochemicals; peptides; chemical characterization; bioavailability; biological activities; functional properties; mechanisms of action; therapeutic potential; pharmacological properties

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

Advances in Petroleum Thermodynamics

edited by Carlos Lira-Galeana and

David Reyes-Gonzalez

submission deadline 31 Mar 2026 | Viewed by 117 | Submission Open

Keywords: petroleum thermodynamics; CCUS fluids; properties and phase behavior; experimental and theoretical studies

(This special issue belongs to the Section Physical Chemistry)

Synthesis, Characterization, and Biological Evaluation of Small Molecules as Anticancer Agents

edited by

Mariyana Atanasova

submission deadline 31 Mar 2026 | Viewed by 117 | Submission Open

Keywords: anticancer small molecules; medicinal chemistry; drug design and synthesis; structure– activity relationship; targeted therapy; apoptosis induction; preclinical evaluation

(This special issue belongs to the Section Bioorganic Chemistry)

New Perspectives on Analytical Methods in Food Products

edited by

Giovanni Caprioli

and

Gulzhan Khamitova

submission deadline 31 Mar 2026 | Viewed by 115 | Submission Open

Keywords: analytical methods; food and plant analysis; chemical characterization of by-products; valorization and recovery of by-products; extraction methods; liquid chromatography– mass spectrometry; gas chromatography– mass spectrometry; spectrophotometer

(This special issue belongs to the Section Food 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 | Viewed by 111 | 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)

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 | Viewed by 108 | 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)

Molecular Biophysics of Viral Proteins

edited by

Ícaro Putinhon Caruso

submission deadline 31 Mar 2026 | Viewed by 108 | Submission Open

Keywords: molecular biophysics; viral proteins; protein structure; protein dynamics; protein folding; protein– membrane interactions; host– virus interactions; antiviral drug design; virus assembly

(This special issue belongs to the Section Chemical Biology)

Advanced Vibrational Spectroscopy

edited by Ke Lin

submission deadline 31 Mar 2026 | Viewed by 107 | Submission Open

Keywords: vibrational spectroscopy; molecular structure; molecular interaction; probe; excess spectroscopy; difference spectroscopy; ratio spectroscopy; multivariate curve resolution; two-dimensional correlation spectroscopy; Raman spectroscopy; infrared spectroscopy

(This special issue belongs to the Section Analytical Chemistry)

Advances in Functional Materials for Heterogeneous Electrocatalysis

edited by

Xiang He

submission deadline 31 Mar 2026 | Viewed by 99 | Submission Open

Keywords: interfacial interactions; environmental sustainability; energy conversion; water remediation; in situ characterization; first-principles calculations; machine learning

(This special issue belongs to the Section Electrochemistry)

Material Synthesis and Green Catalysis: Innovations for Sustainable Chemistry

edited by Weiwei Guo and

Lu Lu

submission deadline 31 Mar 2026 | Viewed by 98 | Submission Open

Keywords: sustainable catalysis; renewable energy; materials design; green chemistry; catalysis

(This special issue belongs to the Section Nanochemistry)

Advances in QuEChERS-Based Methodologies for Multiresidue Analysis

edited by

Mikel Añibarro-Ortega

and

José Pinela

submission deadline 31 Mar 2026 | Viewed by 97 | Submission Open

Keywords: QuEChERS methodology; multiresidue analysis; sample preparation; emerging contaminants; LC-MS/MS and GC-MS/MS; method validation and standardization; green chemistry approaches; complex matrices

(This special issue belongs to the Section Analytical Chemistry)

Advancements in Organic Boron Chemistry

edited by Xiaodong Yin

submission deadline 31 Mar 2026 | Viewed by 96 | Submission Open

Keywords: organoboron compounds; synthesis; structural elucidation; spectroscopic studies; functional materials; catalysis and biomedical application

(This special issue belongs to the Section Organic Chemistry)

Metal Complexes in Catalysis and Biological Applications

edited by

John J. Hurtado

and Edgar Nagles

submission deadline 31 Mar 2026 | Viewed by 95 | Submission Open

Keywords: metal complexes; synthesis and characterization; catalysis; biological activity; DFT; crystal structure

(This special issue belongs to the Section Inorganic Chemistry)

Innovations and Breakthroughs in Bifunctional Molecules

edited by

Xiaoli Xu

submission deadline 31 Mar 2026 | Viewed by 87 | Submission Open