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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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Molecular Self-Assembly in Interfacial Chemistry

edited by

Guanying Li

submission deadline 15 May 2025 | 7 articles | Viewed by 18420 | Submission Open

Keywords: molecular self-assembly; interfacial chemistry; bio-nanointerface; supramolecular materials; nanotechnology

(This special issue belongs to the Section Physical Chemistry)

Recent Advances in Food Analysis

edited by

Jesus Marin Saez

Rosalia Lopez Ruiz

and

Francisco Javier Arrebola

submission deadline 15 May 2025 | 7 articles | Viewed by 13223 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Extraction, Identification and Isolation of Chemical Compounds in Natural Matrices, 2nd Edition

edited by

Cristina Caleja

submission deadline 15 May 2025 | 3 articles | Viewed by 2941 | Submission Open

Keywords: bioactive compounds; natural matrices; health benefits; industry potential; natural molecules

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

The State-of-the-Art in Improving the Antitumor Efficacy of Platinum Drugs

edited by

Mauro Ravera

and

Elisabetta Gabano

submission deadline 20 May 2025 | 1 articles | Viewed by 2529 | Submission Open

Keywords: bioinorganic chemistry; metal-based drugs; pt coordination compounds; pharmacodynamics; pharmacokinetics

(This special issue belongs to the Section Medicinal Chemistry)

Nano-Functional Materials for Sensor Applications—2nd Edition

edited by

Li Fu

and Aiwu Wang

submission deadline 30 May 2025 | 5 articles | Viewed by 11193 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

2D Nanomaterials and Composites for Energy and Environmental Sustainability—2nd Edition

edited by

Luis Alfredo Rodríguez

and

Edgar Mosquera-Vargas

submission deadline 30 May 2025 | 6 articles | Viewed by 11035 | Submission Open

Keywords: film processes; flexible substrates; carbon capture and conversion; nano-electronics and devices; ink-jet printing; nanostructured permanent magnets; carbon-based nanomaterials; membrane separation; solar cells; photonic materials; OLED; polymer-based nanocomposites; gas capture; H2 storage and conversion

(This special issue belongs to the Section Nanochemistry)

Advances in Biomass Chemicals: Transformation and Valorization

edited by Marlene Lopes

submission deadline 30 May 2025 | 3 articles | Viewed by 5161 | Submission Open

Keywords: lignocellulosic biomass; agro-industrial by-products; biofuels; biochemicals; biorefinery; pretreatments; hydrolysis

(This special issue belongs to the Section Green Chemistry)

Synthesis and Crystal Structure Studies of Metal Complexes

edited by Anna Świtlicka

submission deadline 30 May 2025 | 1 articles | Viewed by 1194 | Submission Open

Keywords: synthesis; crystal structure; physical properties; X-ray diffraction; coordination complexes; d- and f-block metal atoms; functional materials; applications

(This special issue belongs to the Section Inorganic Chemistry)

Advances in Natural Products and Their Biological Activities

edited by

Irwin Rose Alencar Menezes

Henrique Douglas Melo Coutinho

Almir Gonçalves Wanderley

and

Jaime Ribeiro-Filho

submission deadline 31 May 2025 | 96 articles | Viewed by 349431 | Submission Open

Keywords: phytochemical; natural product; phytotherapy; medicinal plants; biological activity pharmaceutical formulations; biological activity; pharmacological or toxicology effects

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

Curcumin and Its Derivatives

edited by

Erika Ferrari

submission deadline 31 May 2025 | 7 articles | Viewed by 31416 | Submission Open

Keywords: curcumin; curcuminoids; synthesis; drug delivery systems; theoretical calculations; hybrid materials; sensors

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

Recent Advances in Cannabis and Hemp Research

edited by

Arjun H. Banskota

submission deadline 31 May 2025 | 9 articles | Viewed by 23715 | Submission Open

Keywords: cannabis sativa; hemp; cannabinoids; terpenes; phenolics; secondary metabolites; by-products; biological activity; protein; polysaccharide

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

Isolation, Identification and Application of Biologically Active Natural Products—Second Edition

edited by

Gui-Guang Cheng

and Ya-Ping Liu

submission deadline 31 May 2025 | 12 articles | Viewed by 22744 | Submission Open

Keywords: phytochemistry; natural product chemistry; food chemistry; secondary metabolites; isolation and structure elucidation of bioactive compounds; novel analytical technique in natural products; phytomedicine; biological and pharmacological activity; toxicological evaluation

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

Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health

edited by

Aman Khan

and

Xiangkai Li

submission deadline 31 May 2025 | 8 articles | Viewed by 20803 | Submission Open

Keywords: functional foods; bioactive ingredients; health benefits; immune function; gut health; disease prevention

(This special issue belongs to the Section Food Chemistry)

Current Emerging Trends of Extraction and Encapsulation in Food

edited by

Seyed Mohammad Taghi Gharibzahedi

Zeynep Altintas

and

Shahin Roohinejad

submission deadline 31 May 2025 | 11 articles | Viewed by 20509 | Submission Open

Keywords: encapsulation techniques; extraction processes; bioactive compounds; complex coacervation; nanocarriers; controlled release; storage stability; food applications

(This special issue belongs to the Section Food Chemistry)

Novel Biochemical Processes for Treatment and Valorization of Wastes and Biomass

edited by

Georgia Antonopoulou

submission deadline 31 May 2025 | 10 articles | Viewed by 20475 | Submission Open

Keywords: waste/biomass; valorization; biochemical processing; feedstocks; biocatalysts; life cycle analysis; biochemical approach

(This special issue belongs to the Section Green Chemistry)

Computational Approaches in Drug Discovery and Design

edited by

Shijun Zhong

submission deadline 31 May 2025 | 7 articles | Viewed by 19050 | Submission Open

Keywords: combined and integrated approaches in CADD; QM/MM and quantum chemical computations for protein– ligand binding; scoring function; binding free energy; target identification; molecular docking molecular dynamics simulation; machine learning or deep learning; data fitting; database; pattern recognition; druglikeness; drug design or drug discovery

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

Nanomaterials for Electrocatalytic Applications

edited by

Paolo Bertoncello

submission deadline 31 May 2025 | 7 articles | Viewed by 18949 | Submission Open

Keywords: Electrocatalysis; Amperometric sensors; Oxygen reduction reactions; Hydrogen evolution and hydrogen oxidation reactions; Chemically modified electrodes; Nanomaterials

(This special issue belongs to the Section Nanochemistry)

Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition

edited by

Luís Passarinha

Eugenia Gallardo

and Mário Barroso

submission deadline 31 May 2025 | 19 articles | Viewed by 18780 | Submission Open

Keywords: analytical and bioanalytical methods; chemistry; drugs; toxic compounds; biomarkers; sample preparation; life quality; sustainability

(This special issue belongs to the Section Analytical Chemistry)

Synthesis and Applications of Novel Low-Dimensional Nanomaterials in Catalysis

edited by Lu Lu and

Xingcai Wu

submission deadline 31 May 2025 | 10 articles | Viewed by 18537 | Submission Open

Keywords: low-dimensional nanomaterials; electrocatalysis; energy storage; carbon nanomaterials; photocatalysis

(This special issue belongs to the Section Nanochemistry)

New Therapeutic Tools against MDR Tumors: Discovery, Synthesis and Evaluation of Bioactive Compounds

edited by

Constantinos Athanassopoulos

and

Antonia Antoniou

submission deadline 31 May 2025 | 7 articles | Viewed by 16349 | Submission Open

Keywords: cancer chemotherapy; multi-drug resistance (MDR); design and synthesis of MDR reversing agents; structure-activity relationship studies; MDR active targeting; hybrids and conjugates; drug repurposing; modulators/ inhibitors of MDR transporters

(This special issue belongs to the Section Medicinal Chemistry)

Solid Waste and Fly Ash Chemical Treatment Methods

edited by

Lu Dong

Xinye Wang

and Huimin Liu

submission deadline 31 May 2025 | 10 articles | Viewed by 15755 | Submission Open

Keywords: solid waste; fly ash; chemical treatment; waste management; thermal treatment; resource recovery; waste-to-energy; environmental chemistry

(This special issue belongs to the Section Green Chemistry)

The Application of LC-MS in Pharmaceutical Analysis

edited by Wing Lam and

Wei Cai

submission deadline 31 May 2025 | 10 articles | Viewed by 15024 | Submission Open

Keywords: LC– MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics

(This special issue belongs to the Section Analytical Chemistry)

Nucleoside and Nucleotide Analogues: Chemical Synthesis and Applications

edited by Satu Mikkola, Pasi Virta and

Tuomas Lönnberg

submission deadline 31 May 2025 | 8 articles | Viewed by 13691 | Submission Open

Keywords: nucleoside analogues; nucleic acids; interactions; detection; synthesis; reaction mechanism

(This special issue belongs to the Section Chemical Biology)

Nutritional Properties, Sensory Profile and Bioactive Components of Food, 2nd Edition

edited by

Maria Bellumori

and

Lorenzo Cecchi

submission deadline 31 May 2025 | 10 articles | Viewed by 13525 | Submission Open

Keywords: food analysis; bioactive compounds; sensory characteristics; food composition; functional food ingredients; all connected topics

(This special issue belongs to the Section Food Chemistry)

Computational Chemistry Insights into Molecular Interactions

edited by

Wim Buijs

submission deadline 31 May 2025 | 11 articles | Viewed by 12572 | Submission Open

Keywords: visualization; molecular mechanics; quantum mechanics; molecular dynamics; biomolecular modeling; drug development; catalysis; materials modeling; thermodynamics; method development; teaching

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

Sample Preparation-Quo Vadis: Current Status of Sample Preparation Approaches—3rd Edition

edited by

Victoria Samanidou

and

Irene Panderi

submission deadline 31 May 2025 | 6 articles | Viewed by 12429 | Submission Open

Keywords: sample preparation; sample pretreatment; extraction techniques; microextraction techniques; green analytical chemistry; miniaturization; automated techniques

(This special issue belongs to the Section Analytical Chemistry)

Biomass-Based Value-Added Bioactive Products: Recovery and Valorization

edited by Ajit Kumar Passari and

Dimitris P. Makris

submission deadline 31 May 2025 | 6 articles | Viewed by 12303 | Submission Open

Keywords: bioactives; biomass; extraction; phytochemicals; waste valorization

(This special issue belongs to the Section Food Chemistry)

Exclusive Papers Collection of Editorial Board Members and Invited Scholars on Food Chemistry

edited by

Ana Belén Martín Diana

and

Daniel Rico

submission deadline 31 May 2025 | 7 articles | Viewed by 12301 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

Covalent and Noncovalent Interactions in Crystal Chemistry, 2nd Edition

edited by

Ting Wang

and

Xin Huang

submission deadline 31 May 2025 | 7 articles | Viewed by 12044 | Submission Open

Keywords: covalent and noncovalent interactions; crystal chemistry; molecular recognition and assembly; crystal structure; crystal engineering

(This special issue belongs to the Section Molecular Structure)

Applied Analytical Chemistry: Second Edition

edited by

Petr Bednar

submission deadline 31 May 2025 | 7 articles | Viewed by 11833 | Submission Open

Keywords: food production; forensic practice and archaeology; environmental monitoring; clinical practice; quality control in industry; analysis of plant material

(This special issue belongs to the Section Analytical Chemistry)

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

edited by

Chia-che Chang

submission deadline 31 May 2025 | 5 articles | Viewed by 11236 | 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)

Effect of Natural Products in the Cancer Therapy Mechanism

edited by

Agata Poniewierska-Baran

and

Maciej Tarnowski

submission deadline 31 May 2025 | 6 articles | Viewed by 11001 | Submission Open

Keywords: anticancer activities; therapeutic potential of plants; phytochemicals; natural products; apoptosis; metastasis; angiogenesis; molecular mechanisms

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

Small-Molecule Modulators Targeting Emerging Therapeutic Pathways: Design, Synthesis and Biological Evaluation

edited by

Yujun Zhao

submission deadline 31 May 2025 | 6 articles | Viewed by 10313 | Submission Open

Keywords: immunomodulator; enzymatic modulator; PROTAC; molecular glue; modulator of PPI; receptor agonist; receptor antagonist; small molecules

(This special issue belongs to the Section Chemical Biology)

Bioactive Compounds in Food and Their Applications

edited by

Iwona Ścibisz

Mariola Kozłowska

and

Małgorzata Ziarno

submission deadline 31 May 2025 | 9 articles | Viewed by 9079 | Submission Open

Keywords: food processing; food matrix; storage; functional foods; phytochemicals; bioactive nutrients; nutraceuticals; biological properties; natural sources; health benefits; applications in food industry

(This special issue belongs to the Section Food Chemistry)

Rare Earth Based Luminescent Materials

edited by

Joana Zaharieva

Dimitar Todorovsky

and

Maria Milanova

submission deadline 31 May 2025 | 6 articles | Viewed by 9010 | Submission Open

Keywords: lanthanides; rare earth; complexes; luminescence; inorganic materials; hybrid materials; composite materials; metal-organic frameworks; phosphors; sensors

(This special issue belongs to the Section Photochemistry)

Zeolites and Mesoporous Materials: Properties and Applications, 2nd Edition

edited by

Łukasz Kuterasiński

submission deadline 31 May 2025 | 7 articles | Viewed by 8962 | Submission Open

Keywords: crystalline aluminosilicates; zeolites; mesoporous materials; synthesis; structure; catalysis spectroscopy (IR; NMR etc.); modeling

(This special issue belongs to the Section Applied Chemistry)

Anti-inflammatory Activity of Natural Products and Alternative Medicine: 2nd Edition

edited by

Ju-Hye Yang

and

Kwang-Il Park

submission deadline 31 May 2025 | 4 articles | Viewed by 8864 | Submission Open

Keywords: natural products; inflammatory diseases; environmental factors; atopic dermatitis; rhinitis; allergic conjunctivitis; asthma; inflammatory bowel disease

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

Applied Chemistry in Asia

edited by

Shaojun Yuan

submission deadline 31 May 2025 | 9 articles | Viewed by 8148 | 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)

Pharmaceutical Modelling in Physical Chemistry

edited by

and

submission deadline 31 May 2025 | 5 articles | Viewed by 7858 | Submission Open

Keywords: pharmaceutical modelling; virtual screening; machine learning; molecular dynamics; enhanced sampling; ab initio calculations

(This special issue belongs to the Section Physical Chemistry)

Plant-Based Food Science: Chemical Composition and Biological Activity

edited by Barbara Soldo and

Maja Jukić Špika

submission deadline 31 May 2025 | 7 articles | Viewed by 7536 | Submission Open

Keywords: plants; extraction; chemical composition; biologically active compounds; antioxidation; antitumor activity; microbiological activity

(This special issue belongs to the Section Food Chemistry)

Advances in Innovative Adsorbents

edited by

Karolina Kiełbasa

and

Joanna Sreńscek-Nazzal

submission deadline 31 May 2025 | 5 articles | Viewed by 7530 | Submission Open

Keywords: adsorption; absorption; adsorbents; porous materials; biomass-derived porous materials; catalysts; modeling

(This special issue belongs to the Section Materials Chemistry)

Preservation and Analysis of Functional Chemical Components in Food Chemistry

edited by

Jiangfeng Song

submission deadline 31 May 2025 | 3 articles | Viewed by 7211 | Submission Open

Keywords: food preservation; functional chemical components; bioactive extraction; analytical method

(This special issue belongs to the Section Food Chemistry)

Novel Green Catalysts and Applications of Organocatalysis

edited by

Ning Ma

submission deadline 31 May 2025 | 3 articles | Viewed by 7098 | Submission Open

Keywords: organocatalysis; green reactions; asymmetric synthesis; heterogeneous catalysis; transition metal-free catalysts; catalytically active organic materials

(This special issue belongs to the Section Green Chemistry)

Research on Bioactive Compounds in Milk

edited by

Sercan Karav

Juliana Maria Leite Nobrega De Moura Bell

and Yonca Karagül-Yüceer

submission deadline 31 May 2025 | 1 articles | Viewed by 6967 | Submission Open

Keywords: milk chemicals; bioactive compounds; functional ingredients; efficacy and safety analysis; bioavailability; innovative processing

(This special issue belongs to the Section Food Chemistry)

Preparation, Characterization, and Application of Electrospun Nanofibers

edited by

Lan Xu

submission deadline 31 May 2025 | 6 articles | Viewed by 6899 | Submission Open

Keywords: electrospinning; nanofibers; nanofiber-based materials; energy storage nanomaterials; biomedical nanomaterials; nanofiber-based material applications

(This special issue belongs to the Section Applied Chemistry)

Advanced Functional Nanomaterials for Energy Conversion and Storage

edited by Xiaohui Sun and Yongxiao Tuo

submission deadline 31 May 2025 | 4 articles | Viewed by 6809 | Submission Open

Keywords: nanomaterials synthesis; characterization; catalysis; battery; energy storage

(This special issue belongs to the Section Nanochemistry)

Protein-Ligand Interactions

edited by

Małgorzata Maciążek-Jurczyk

submission deadline 31 May 2025 | 5 articles | Viewed by 6649 | Submission Open

Keywords: protein–ligand interactions; binding affinity; protein structure and function

(This special issue belongs to the Section Chemical Biology)

Battery Chemistry: Recent Advances and Future Opportunities, the Second Edition

edited by

Liwen Tan

and

Jianjun Zhang

submission deadline 31 May 2025 | 7 articles | Viewed by 6641 | Submission Open

Keywords: electrochemistry; surface/interface chemistry; electrocatalytic reaction; oxygen reduction reaction; oxygen evolution reaction; quantum chemistry; materials chemistry; rechargeable batteries

(This special issue belongs to the Section Electrochemistry)

Application of Analytical Methods in Food, Drug, and Natural Products Research: Volume II

edited by

Alessandra Biancolillo

and

Angelo Antonio D'Archivio

submission deadline 31 May 2025 | 4 articles | Viewed by 5785 | 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)

Environmental Analytical Chemistry II

edited by

Tony Venelinov

and

Stefan Tsakovski

submission deadline 31 May 2025 | 4 articles | Viewed by 5502 | Submission Open

Keywords: environmental monitoring; water; air and soil pollution; pollution risk assessment; ecotoxicity; ecotoxicology; chemometrics; method development for analysis of environmental compartments; method validation

(This special issue belongs to the Section Analytical Chemistry)

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