Two dimensional materials are non-nanotoxic and biocompatible towards cyclotides: evidence from classical molecular dynamics simulations

Anupam Ghosh, Titas Kumar Mukhopadhyay and Ayan Datta

Nanoscale, 2023, 15, 321
DOI: 10.1039/D2NR05096J

Ambient energy dispersion and long-term stabilisation of large graphene sheets from graphite using a surface energy matched ionic liquid†

Justin S. Freeman, Kateryna Goloviznina, Hua Li, Martin Saunders, Gregory G. Warr, Agilio A.H. Pádua and Rob Atkin

Journal of Ionic Liquids, 2021, 1, 100001
DOI: 10.1016/j.jil.2021.100001

Advances in 2D materials for wearable biomonitoring

Songyue Chen, Shumao Xu, Xiujun Fan, Xiao Xiao, Zhaoqi Duan, Xun Zhao, Guorui Chen, Yihao Zhou and Jun Chen

Materials Science and Engineering: R: Reports, 2025, 164, 100971
DOI: 10.1016/j.mser.2025.100971

Adhesion of Bis-Salphen-Based Coordination Polymers to Graphene: Insights from Free Energy Perturbation Study

Sergey Pyrlin, Veniero Lenzi, Alexandre Silva, Marta Ramos and Luís Marques

Polymers, 2022, 14, 4525
DOI: 10.3390/polym14214525

Solvent-Assisted Graphene Exfoliation from Graphite Using Umbrella Sampling Simulations

Anastasios Gotzias, Elena Tocci and Andreas Sapalidis

Langmuir, 2023, 39, 18437
DOI: 10.1021/acs.langmuir.3c02692

Optimized Liquid-Phase Exfoliation of Magnetic van der Waals Heterostructures: Towards the Single Layer and Deterministic Fabrication of Devices

Lucía Martín-Pérez and Enrique Burzurí

Molecules, 2021, 26, 7371
DOI: 10.3390/molecules26237371

Catalytic applications of phosphorene: Computational design and experimental performance assessment

Monika Nehra, Neeraj Dilbaghi, Rajesh Kumar, Sunita Srivastava, K. Tankeshwar, Ki-Hyun Kim and Sandeep Kumar

Critical Reviews in Environmental Science and Technology, 2024, 54, 185
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Molecular Dynamics Simulations Reveal Orientation-Dependent Nanotoxicity of Black Phosphorene toward Dimeric Proteins

Titas Kumar Mukhopadhyay, Anupam Ghosh and Ayan Datta

ACS Appl. Nano Mater., 2021, 4, 3095
DOI: 10.1021/acsanm.1c00271

Liquid-Phase Exfoliation of Graphene in Organic Solvents with Addition of Picric Acid

Syed Sajid Ali Shah, Habib Nasir and Shehla Honey

NHC, 2021, 33, 47
DOI: 10.4028/www.scientific.net/NHC.33.47

Innovative Phosphorene Nanoplatform for Light Antimicrobial Therapy

Elisa Passaglia and Antonella Sgarbossa

Pharmaceutics, 2023, 15, 2748
DOI: 10.3390/pharmaceutics15122748

Screening 2D Materials for Their Nanotoxicity toward Nucleic Acids and Proteins: An In Silico Outlook

Titas Kumar Mukhopadhyay, Anupam Ghosh and Ayan Datta

ACS Phys. Chem Au, 2024, 4, 97
DOI: 10.1021/acsphyschemau.3c00053

On the Stability of Graphene-Based Aqueous Dispersions and Their Performance in Cement Mortar

Teresa Gerace, Sebastiano Candamano, Simone Bartucci, Carlo Poselle Bonaventura, Alfonso Policicchio, Raffaele Giuseppe Agostino, Milena Marroccoli, Antonio Telesca, Mariano Davoli, Andrea Scarcello, Lorenzo S. Caputi and Daniela Pacilè

Applied Sciences, 2025, 15, 835
DOI: 10.3390/app15020835

In Silico Investigation on the Selective Nanotoxicity of Two-Dimensional Materials to Hen Egg White Lysozyme Protein

Srijita Paul, Titas Kumar Mukhopadhyay and Sandip Paul

ACS Appl. Nano Mater., 2023, 6, 6504
DOI: 10.1021/acsanm.2c05399

Computational Assessment of the Biocompatibility of Two-Dimensional g-C3N3 Toward Lipid Membranes

Anupam Ghosh, Titas Kumar Mukhopadhyay and Ayan Datta

ACS Appl. Mater. Interfaces, 2024, 16, 8213
DOI: 10.1021/acsami.3c14463

Exfoliation of Molecular Solids by the Synergy of Ultrasound and Use of Surfactants: A Novel Method Applied to Boric Acid

Sara Calistri, Alberto Ubaldini, Chiara Telloli, Francesco Gennerini, Giuseppe Marghella, Alessandro Gessi, Stefania Bruni and Antonietta Rizzo

Molecules, 2024, 29, 3324
DOI: 10.3390/molecules29143324

Fast and efficient shear-force assisted production of covalently functionalized oxide nanosheets

Frédéric Payet, Corinne Bouillet, Fabrice Leroux, Cédric Leuvrey, Pierre Rabu, François Schosseler, Christine Taviot-Guého and Guillaume Rogez

Journal of Colloid and Interface Science, 2022, 607, 621
DOI: 10.1016/j.jcis.2021.08.213

Unveiling the Interactions between Water Molecule Clusters and Conical Structures via Molecular Dynamics Simulations

Yingying Yang, Dong Liu, Qiuyan Wang, Awais Mahmood and Meijia Lin

Langmuir, 2023, 39, 13028
DOI: 10.1021/acs.langmuir.3c01228

Density Functional Theory Combined with Thermodynamics Exploration of Novel 2D Materials Created Using Aqueous Exfoliation

Mona Layegh and Joseph W. Bennett

J. Phys. Chem. C, 2023, 127, 2314
DOI: 10.1021/acs.jpcc.2c08053

Effect of electric field on two-dimensional honeycomb structures from group (III–V)

Arooba Kanwal, Abdul Jalil, Syed Zafar Ilyas, Sarfraz Ahmed, S. Agathopoulos and Sami Znaidia

Journal of Physics and Chemistry of Solids, 2022, 162, 110507
DOI: 10.1016/j.jpcs.2021.110507

Peptide-Driven Exfoliation and Dispersion Mechanisms of Graphene in Aqueous Media

Ruitao Jin, Filip Vuković and Tiffany R. Walsh

J. Phys. Chem. Lett., 2021, 12, 11945
DOI: 10.1021/acs.jpclett.1c03558