# Bridging Polymorphism and Additive Fabrication: Insights and Innovations

Journal of Molecular Structure 142836

https://doi.org/10.1016/j.molstruc.2025.142836

Editors

Christian Jelschª,*, Lakshmi Praveen Pogulaᵇ, Munish Kumar Guptaᶜ, Nimel Rossᵈ, Fernando Gomes de Souza Júniorᵉ,f,,g

a Laboratoire CRM2, CNRS, Lorraine University, Nancy, France

b Department of Physics, Veer Surendra Sai University of Technology, Burla, Odisha, India

c Faculty of Mechanical Engineering, Opole University of Technology, Opole, Poland

d Department of Chemistry, University of Johannesburg, Auckland Park, South Africa e Instituto de Macromolecular Professora Eloisa Mano, Centro de Tecnologia, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil

f Programa de Engenharia da Nanotecnologia, COPPE, Centro de Tecnologia, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil

g Florida International University, 10555 West Flagler St EC3900, Miami, FL 33174, USA

*Corresponding author. E-mail address: christian.jelsch@univ-lorraine.fr.

The SPECIAL ISSUE Molecular Structures for Polymorphism and Additive Manufacturing aimed to connect molecular polymorphism science with the applications of additive manufacturing, and it focused on the molecular self-assembly and polymorphic transitions that can be controlled and exploited in additive manufacturing technologies. It collected studies employing state-of-the-art experimental techniques, such as crystallography and temperature-dependent spectroscopies, coupled with advanced computational modeling techniques, such as DFT and Machine Learning, to predict and direct the synthesis and performance of complex materials because this interdisciplinary approach is essential for advancing the field.

The 25 selected articles showcase a wide range of approaches and applications, highlighting the rich diversity of research in this field.

The first articles by Rina Soni and her colleagues dive into the fascinating world of coumarin-biphenyl hybrids and unsaturated mesogens. They used DFT calculations to uncover how structural properties relate to mesomorphic behavior. Their findings reveal
how even small changes at the molecular level can significantly impact thermal stability and phase transitions.

Paresh Solanki et al. expanded this approach by investigating Schiff esters with antimicrobial properties, whereas Rina Soni et al. continued the exploration of bis-esters based around naphthalene, illustrating the relationship between chemical substitution and polymorphism, thus showing the importance of molecular design.

S. Kavitha et al. investigated hydrogen-bonded liquid crystals for nonlinear optical applications, whereas T. Anitha and K. Srinivasan analyzed the polymorphs of ethyl maltol using energy frameworks to ascertain which is the most stable because understanding the stability of polymorphs is crucial for their applications.

Kritika Garg et al. used computational modeling to study the properties of complex materials, and Aleksandra Deptuch et al. used temperature-dependent spectroscopies along with DFT calculations to understand the thermodynamic and structural properties of line compounds, thus combining experimental and theoretical approaches.

Bendi Anjaneyulu et al. contributed a comprehensive review on the interplay between nanomaterials and polymorphism, emphasizing how structural versatility in nanomaterials enhances applications in medicine, sensors, and environmental technologies. Their work underscores the critical role of polymorphism in tailoring nanomaterial functionality for emerging technologies.

In nanomaterials, S.K. Parida et al. synthesized BaSrTiMnO₆ ceramics for thermistor applications, and M. Sooraj et al. studied the carbohydrazones with anticancer and antibacterial properties because materials have the potential to revolutionize various fields.

Satish Kumar Samal et al. developed luminescent materials for anticounterfeiting security. Rowaa S. AL-Jallad et al. investigated the magnetic and electronic properties of SmCrO₃ for spintronics, thus exploring the potential of materials for various applications.

A. Viji et al. combined experimental and computational DFT studies to analyze the molecular structure and chemopreventive properties of a brominated anthracene derivative. Their work highlights the synergy between spectroscopic analysis and quantum chemical calculations in predicting material behavior, offering insights for pharmaceutical and optical applications.

Sustainability was addressed by Ansar Anjum et al., who developed polyurethane-amide nanocomposites for protective coatings, and Akanksha Taneja et al., who synthesized
PANI-BiOBr nanocomposites for pollutant detection because sustainable materials are essential for the future.

Marepally Karthik Venkat Sai Sharan et al. created 3D-printed subcutaneous implants for controlled drug release. At the same time, Yashika Aneja et al. studied dopant-loaded ferroelectric liquid crystals with bent-core mesogens, thus demonstrating the potential of additive manufacturing for biomedical applications.

Sakthi Veni Saravanaselvam et al. synthesized novel Schiff base ligands and their metal complexes, demonstrating significant antimicrobial activity and DNA-binding properties. Their docking studies against DNA gyrase enzymes revealed potent interactions, positioning these complexes as promising candidates for antibacterial drug development.

Ashok Chaudhary et al. worked on various projects, including high-performance displays, sculpted SiO₂ films, supramolecular interactions in vanadium complexes, dopant-loaded liquid crystals, synthesis of Schiff ligands, and NiO nanoflowers for sensor and photocatalysis applications. Therefore, their research has a broad impact.

Priscilla P. et al. discussed using dopant-loaded liquid crystals in a high-performance display device. In turn, Sunshine Dominic Kurbah and Kenneth Umdor reviewed supramolecular interactions in vanadium complexes, thus highlighting the importance of collaborations. Other works by lyappan Kathirvel et al. and G. Marimuthu et al. described the synthesis of Schiff ligands and NiO nanoflowers for sensor and photocatalysis applications because these materials can be used in various devices.

The Editors want to thank all the authors, reviewers, and organizers who helped make this Special Issue possible, showing that the intersection of fundamental science and additive manufacturing can lead to innovative materials and devices with tunable properties and meet emerging technologies' demands. Therefore, it is essential to continue this research. We hope that this S.I. will stimulate new research and collaborations on the development of new materials and devices, and we also encourage the readers to read articles in detail and contribute to the ongoing development of this interdisciplinary field because the future of polymorphism and additive manufacturing depends on it. Enjoy the reading!