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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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Biopolymer-Based Materials: Preparation, Properties and Applications

edited by

Gabriela Dudek

submission deadline 30 Nov 2025 | Viewed by 123 | 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)

Molecular Recognition for the Detection of Food Contaminants

edited by Wenlei Zhai and Zhiyong Yan

submission deadline 30 Nov 2025 | Viewed by 103 | Submission Open

Keywords: food contaminants; molecular recognition; antibodies and aptamers; molecular probe and molecularly imprinted polymers; pesticides and veterinary drugs; mycotoxins; illegal additives; heavy metal ions and organic pollutants

(This special issue belongs to the Section Analytical Chemistry)

Advances in Nonlinear Optical Molecular Materials

edited by Abdelkrim El-Ghayoury

submission deadline 30 Nov 2025 | Viewed by 102 | Submission Open

Keywords: nonlinear optics; organic materials; hybrid composites; optoelectronics; chromophores; polymer composites; electro-optic effects; molecular engineering; structure– property relationships

(This special issue belongs to the Section Materials Chemistry)

Physicochemical Research on Material Surfaces, 2nd Edition

edited by

Guiyong Xiao

submission deadline 30 Nov 2025 | Viewed by 88 | Submission Open

Keywords: coating; surface modification; micro/nano structure; chemical functionalization; biomaterials; bioactivity

(This special issue belongs to the Section Physical Chemistry)

Synthesis and Characterization of Flame-Retardant Materials

edited by Shuilai Qiu

submission deadline 30 Nov 2025 | Viewed by 83 | Submission Open

Keywords: polymer; flame retardants; organic; inorganic; nanocomposite; enhancement; mechanism

(This special issue belongs to the Section Materials Chemistry)

Insights into the Development of Molecular Simulations in Chemical Physics

edited by

Tomaž Urbić

submission deadline 30 Nov 2025 | Viewed by 70 | Submission Open

Keywords: molecular simulation; hydrogen bonds; integral equation theory; phase diagrams; Monte Carlo and molecular dynamics; lattice Boltzmann method

(This special issue belongs to the Section Physical Chemistry)

Metal and Metal Oxide Nanocomposites: From Synthesis to Applications in Biomedical & Environmental Technologies

edited by

Marija B. Radoičić

and Darka Markovic

submission deadline 1 Dec 2025 | Viewed by 136 | Submission Open

Keywords: metal nanocomposites; metal oxide nanocomposites; nanomaterials synthesis; biomedical applications; environmental remediation; photocatalysis; antimicrobial activity; sustainable nanotechnology

(This special issue belongs to the Section Materials Chemistry)

Advances in Sustainable Solvents for Greener Chemical Processes

edited by

José Luis Todolí Torró

and

Gabriela Guillena

submission deadline 12 Dec 2025 | Viewed by 132 | Submission Open

Keywords: sustainable solvents; green chemistry; alternative solvents; process integration; environmental impact

(This special issue belongs to the Section Green Chemistry)

Nano-Functional Materials for Sensor Applications—2nd Edition

edited by

Li Fu

and Aiwu Wang

submission deadline 15 Dec 2025 | 5 articles | Viewed by 25662 | Submission Open

Keywords: nano-functional materials; sensor applications; nanotechnology; fabrication techniques; sensing platforms; environmental monitoring; healthcare

(This special issue belongs to the Section Nanochemistry)

Recent Advances in Development of Small Molecules to Fight Cancer—2nd Edition

edited by

Giulia Bononi

and

Carlotta Granchi

submission deadline 15 Dec 2025 | 8 articles | Viewed by 15884 | Submission Open

Keywords: medicinal chemistry; drug discovery; anti-cancer drugs; natural products; synthetic compounds; synthesis; biological evaluation; cancer treatment

(This special issue belongs to the Section Medicinal Chemistry)

Heterocycles: Synthesis, Biological Activity, Pharmacokinetic Profiles, and Mechanism of Actions

edited by Guang Huang,

Lucjan Strekowski

and

Xin Li

submission deadline 15 Dec 2025 | 2 articles | Viewed by 3628 | Submission Open

Keywords: heterocycles; privileged scaffold; inhibitors; metal complexes; biological activity; SAR; ADMET; drug design and discovery

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis, Characterization and Biological Evaluation of Metal Complexes

edited by

Jindra Valentová

Ladislav Habala

and

Jan Moncol

submission deadline 15 Dec 2025 | 2 articles | Viewed by 2253 | Submission Open

Keywords: metal complexes; biological activity; anticancer; bioinorganic; anti-inflammatory; antimicrobial; Alzheimer's disease

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

Advances in Lignocellulosic Biomass

edited by

Lacrimioara Senila

submission deadline 15 Dec 2025 | 1 articles | Viewed by 824 | Submission Open

Keywords: lignocellulosic biomass; renewable biomass; biofuels; bio-chemicals; biomaterials; bioplastics

Computational Studies and Drug Design

edited by

Elena Cichero

submission deadline 15 Dec 2025 | Viewed by 209 | Submission Open

Keywords: virtual screening; repositioning; multi-target compounds; molecular docking; pharmacophore modeling; ADMET

(This special issue belongs to the Section Medicinal Chemistry)

Nanomaterials: Design and Application in Photodegradation

edited by

Luciano Costa Almeida

submission deadline 15 Dec 2025 | Viewed by 155 | Submission Open

Keywords: heterostructures; photodegradation; semiconductor– semiconductor interface; water remediation; wastewater treatment

Nanocomposites in Electrochemical Analysis

edited by

Matías D. Regiart

and

Walter Ricardo Brito

submission deadline 15 Dec 2025 | Viewed by 146 | Submission Open

Keywords: electrochemical; nanotechnology; sensors; microfluidics; nanocomposites; nanomaterials; biosensors

(This special issue belongs to the Section Nanochemistry)

Molecular Strategies for the Synthesis of Drug-Like Bioactives

edited by

Beatrice Severino

and

Antonia Scognamiglio

submission deadline 16 Dec 2025 | Viewed by 236 | Submission Open

Keywords: drug-like bioactives; synthetic methodologies; green chemistry; multitarget ligands; PROTACs; molecular glues; biocatalysis; scaffold design; late-stage functionalization

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Graphene-Based Materials

edited by

Raffaello Papadakis

and

Grazia Giuseppina Politano

submission deadline 16 Dec 2025 | Viewed by 193 | Submission Open

Keywords: graphene; graphene oxide; reduced graphene oxide; 2D; energy storage; catalysis; optoelectronics

(This special issue belongs to the Section Materials Chemistry)

New Development in Fermented Products—Third Edition

edited by

Alessia Fazio

and

Chiara La Torre

submission deadline 20 Dec 2025 | 3 articles | Viewed by 4538 | 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)

Re-Valorization of Waste and Food Co-Products

edited by

Adriana Dabija

and

Ancuța Chetrariu

submission deadline 20 Dec 2025 | 1 articles | Viewed by 1305 | Submission Open

Keywords: by-products; valorization; reutilization; zero waste; application of functional ingredients; circular economy

(This special issue belongs to the Section Green Chemistry)

Macromolecules, Particles, and Colloids in Ionic Liquids: Structure, Stability, and Function

edited by Qi Han, Zhengfei Chen and

Tamar Greaves

submission deadline 20 Dec 2025 | Viewed by 164 | Submission Open

Keywords: ionic liquids; macromolecules; colloids; self-assembly; nanoparticles; green solvents; soft matter

(This special issue belongs to the Section Molecular Liquids)

Design and Synthesis of Molecular Systems to Prepare Conductive Materials

edited by

Qianchong Zhang

Junyang Liu

and Tomoyuki Akutagawa

submission deadline 20 Dec 2025 | Viewed by 118 | Submission Open

Keywords: single-molecule conductance; quantum tunneling; molecular conductor; single crystal; charge transport; charge transfer complex; thin film; self-assembled monolayer; mesoscale conductor; polymer

(This special issue belongs to the Section Materials Chemistry)

Bioactive Compounds in Foods, Beverages, and By-Products and Their Functional Potential

edited by

Maria Beatriz Prior Pinto Oliveira

Carolina De Souza

Ederlan S. Ferreira

and

Alessio Scarafoni

submission deadline 28 Dec 2025 | 1 articles | Viewed by 629 | Submission Open

Keywords: bioactive compounds in foods; beverages; and/or food by-products; unconventional raw materials as a source of bioactive compounds; bioactive compounds in human health and diseases; bioactive compounds: focus on its mechanism of action; bioavailability of the bioactive compounds; studies (in silico; in vitro; vivo; and clinical) with a focus on bioactive potential; analytical techniques to identify bioactive compounds; trends and advances in bioactive compounds analysis

(This special issue belongs to the Section Food Chemistry)

Porphyrin-Based Compounds: Synthesis and Application, 2nd Edition

edited by

Carlos Monteiro

M. Amparo F. Faustino

and

Carlos Serpa

submission deadline 30 Dec 2025 | 7 articles | Viewed by 10808 | Submission Open

Keywords: synthesis of porphyrins and derivatives; functionalization/structural modification of porphyrinoids; structural and photophysical characterization; porphyrinic functional materials; biomedical applications optoelectronic applications; porphyrin– protein interactions

(This special issue belongs to the Section Organic Chemistry)

Nanomaterials for Catalytic Upcycling/Conversion of Plastics/Biomass

edited by Lei Huang, Xiang Wang and Zhili Li

submission deadline 30 Dec 2025 | 2 articles | Viewed by 4720 | Submission Open

Keywords: plastic waste; upcycling; conversion; biomass conversion; biomass upgrading; lignin depolymerization; nanocatalysis; thermal catalysis

(This special issue belongs to the Section Nanochemistry)

Advanced Nanotherapeutics: Design, Synthesis and Applications—2nd Edition

edited by

Sandra Pinto

and

Vasco D. B. Bonifácio

submission deadline 30 Dec 2025 | 2 articles | Viewed by 2509 | Submission Open

Keywords: nanomedicine; nanodelivery systems; polymer therapeutics; polymer nanoparticles; anticancer nanomaterials; antimicrobial nanoparticles; theranostics

(This special issue belongs to the Section Nanochemistry)

Opportunities and Challenges in Organic Optoelectronic Materials

edited by

Chien-Jung Huang

and

Mu-Chun Wang

submission deadline 30 Dec 2025 | 1 articles | Viewed by 2502 | Submission Open

Keywords: organic semiconductors; organic photonics; inorganic/organic hybrid materials; excitons; electroluminescence; photovoltaics; vacuum/solution process; energy transfer

(This special issue belongs to the Section Materials Chemistry)

Small-Molecule Targeted Drugs

edited by

Wen Zhang

and Annoor Awadasseid

submission deadline 30 Dec 2025 | 1 articles | Viewed by 1154 | Submission Open

Keywords: drug discovery; high-throughput screening; structure (ligand)-based drug design; PD-1/PD-L1 drug design; molecular docking; pharmacophore modeling; therapeutics; computational approaches

(This special issue belongs to the Section Medicinal Chemistry)

Exploring the Potential of Biodegradable and Biocompatible Natural Polymers

edited by

Meng He

and Dingfeng Xu

submission deadline 30 Dec 2025 | Viewed by 148 | Submission Open

Keywords: natural polymers; biopolymers; biocompatibility; material design; biomedical applications; packaging; derivatives; environmental impact

(This special issue belongs to the Section Applied Chemistry)

Essential Oils and Their Multifaceted Studies: From Extraction to Applications

edited by

Mozaniel Santana de Oliveira

submission deadline 30 Dec 2025 | Viewed by 143 | Submission Open

Keywords: in silico; in vivo; in vitro; agriculture; food science; medicinal; pharmacological

(This special issue belongs to the Section Food Chemistry)

X-Ray Spectroscopy of Gas-Phase Biomolecules

edited by Lucas Schwob, Sadia Bari and Marta Berholts

submission deadline 30 Dec 2025 | Viewed by 127 | Submission Open

Keywords: X-ray spectroscopy; gas-phase biomolecules; structure-function relationship; time-resolved spectroscopy; core-level ionization; electronic structure and dynamics; charge migration; theoretical modeling

(This special issue belongs to the Section Analytical Chemistry)

Nanocarriers for Diagnostics, Imaging and Drug Delivery

edited by Jie Pan and Yonghui Liu

submission deadline 30 Dec 2025 | Viewed by 106 | Submission Open

Keywords: nanocarriers; diagnostics; imaging; drug delivery; targeted therapy

(This special issue belongs to the Section Nanochemistry)

Recent Advances in Structural Characterization by Raman Spectroscopy

edited by

Ioana Stanculescu

submission deadline 30 Dec 2025 | Viewed by 102 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Covalent Organic Frameworks for Photocatalysis or Fluorescence Detection

edited by

Long Hao

and Bing Han

submission deadline 30 Dec 2025 | Viewed by 91 | Submission Open

Keywords: covalent organic framework (COF); photocatalysis; water splitting; CO2 reduction; H2O2 production; fluorescence detection

(This special issue belongs to the Section Photochemistry)

Phytochemicals from Diet and Medicinal Plants: Chemical Diversity, Delivery Systems and Bioactivity

edited by

Bo Li

submission deadline 31 Dec 2025 | 6 articles | Viewed by 38060 | Submission Open

Keywords: phytochemicals; chemical structure; chemical modification; synthesis; delivery systems; bioactivities; metabolism

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

Heterocycles in Medicinal Chemistry III

edited by

Josef Jampilek

submission deadline 31 Dec 2025 | 12 articles | Viewed by 37733 | Submission Open

Keywords: drugs; heterocycles; pharmacophore; drug design; computer study; synthesis; analysis; natural compounds; carbohydrates; physicochemical properties; ADMET; biological screening; chemical biology; biological chemistry; biomaterials

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Density Functional Theory (DFT) Calculation

edited by

Aleksandr S. Kazachenko

and

Noureddine Issaoui

submission deadline 31 Dec 2025 | 11 articles | Viewed by 33338 | Submission Open

Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic proprieties; kinetics and catalysis; QTAIM

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

Bioactive Phenolic and Polyphenolic Compounds, 3rd Edition

edited by

Cristina Forzato

submission deadline 31 Dec 2025 | 12 articles | Viewed by 31662 | Submission Open

Keywords: food chemistry; natural products; antioxidants; polyphenols; chromatography; spectroscopy; mass spectrometry; extraction; biological activity; sensors

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

Research on Heterogeneous Catalysis—2nd Edition

edited by

Lin Huang

and

Yinghuai Zhu

submission deadline 31 Dec 2025 | 20 articles | Viewed by 28667 | Submission Open

Keywords: heterogeneous; catalysis; catalyst; surface; reaction

(This special issue belongs to the Section Applied Chemistry)

Metal Complexes as Potential Antimicrobial and Antiproliferative Agents

edited by

Mihaela Badea

submission deadline 31 Dec 2025 | 7 articles | Viewed by 24378 | Submission Open

Keywords: metal complexes; antimicrobial activity; antiproliferative activity; cytotoxicity; biofilm

(This special issue belongs to the Section Inorganic Chemistry)

Functional Molecules as Novel Cosmetic Ingredients

edited by Jing Wang and Zhong Liu

submission deadline 31 Dec 2025 | 9 articles | Viewed by 21392 | Submission Open

Keywords: synthetic molecules; plant extracts; natural compounds; biotech-derived molecules; natural-derived molecules; fermentation-derived ingredients; biological activity; cosmetics; encapsulation and delivery technologies of ingredients; skin-care; hair-care

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

Natural Antioxidants in Functional Food

edited by

José Miguel Álvarez-Suárez

Montaña Cámara

and

Abishek Santhakumar

submission deadline 31 Dec 2025 | 6 articles | Viewed by 21169 | Submission Open

Keywords: natural antioxidants; bioactive compounds; functional foods; novel foods; exotic foods; health and nutrition claims

(This special issue belongs to the Section Food Chemistry)

Feature Papers in Food Chemistry—3rd Edition

edited by

Tristan Richard

and

Mirella Nardini

submission deadline 31 Dec 2025 | 10 articles | Viewed by 20848 | Submission Open

Keywords: food chemistry; functional food; ingredients; bioactivity; antioxidants; food safety and health; food processing

(This special issue belongs to the Section Food Chemistry)

Probing Pharmacological and Biological Performance of Synthetic and Natural Compounds—2nd Edition

edited by

Chia-che Chang

submission deadline 31 Dec 2025 | 6 articles | Viewed by 17746 | Submission Open

Keywords: natural and synthetic compounds; aging; cancer; cardiovascular diseases; metabolic syndromes; inflammation; oxidative stress; regulated cell death

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

Applied Chemistry in Asia

edited by

Shaojun Yuan

submission deadline 31 Dec 2025 | 13 articles | Viewed by 17052 | Submission Open

Keywords: applied chemistry; new molecules and natural materials; solar energy and photo-electro-catalysis; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry

(This special issue belongs to the Section Applied Chemistry)

Exclusive Contributions by the Editorial Board Members (EBMs) of the Organic Chemistry Section of Molecules

edited by

Maged Henary

submission deadline 31 Dec 2025 | 12 articles | Viewed by 16724 | Submission Open

Keywords: organic compounds; organic synthesis; organic reaction; click chemistry; organocatalysis

(This special issue belongs to the Section Organic Chemistry)

Drug Delivery Systems Based on Polysaccharides: Second Edition

edited by

Marcel Popa

and

Leonard Ionut Atanase

submission deadline 31 Dec 2025 | 4 articles | Viewed by 16619 | Submission Open

Keywords: polysaccharides; polysaccharide derivatives; hydrogels; micro- and nanoparticles (spheres and capsules); hybrid nanoparticles; functionalized nanoparticles for drug targeting; micelles based on amphiphilic polysaccharides; drug delivery

(This special issue belongs to the Section Macromolecular Chemistry)

Current Development of Asymmetric Catalysis and Synthesis

edited by

Jiaxi Xu

submission deadline 31 Dec 2025 | 7 articles | Viewed by 16498 | Submission Open

Keywords: asymmetric synthesis; asymmetric catalysis; transition metal-catalyzed asymmetric catalysis and synthesis; organocatalyzed asymmetric catalysis and synthesis; enzyme-catalyzed catalysis and synthesis; kinetic resolution; theoretical investigations into asymmetric catalysis and synthesis

(This special issue belongs to the Section Organic Chemistry)

Featured Papers in Organometallic Chemistry—2nd Edition

edited by

Michal Szostak

submission deadline 31 Dec 2025 | 12 articles | Viewed by 16431 | Submission Open

Keywords: organometallic chemistry; complexes; metals; metal– carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross-coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy

(This special issue belongs to the Section Organometallic Chemistry)

Computational Insights into Protein Engineering and Molecular Design

edited by Jianpeng Ma and Gang Xu

submission deadline 31 Dec 2025 | 6 articles | Viewed by 15941 | Submission Open

Keywords: protein engineering; protein design; protein structure prediction; computational molecular docking; drug design; optimizing small molecules; molecular dynamic simulation

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

Displaying special issue 101-150 on page 3 of 21.

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