Ten Years Without Nikola Kallay: 2nd Edition

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Institute for Nuclear Waste Disposal (INE), Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen, Germany
Interests: surface complexation; adsorption from aqueous solution; environmental chemistry; geochemistry; aquatic chemistry; colloid and interface science
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Department of Chemistry, Division of Physical Chemistry, Faculty of Science, University of Zagreb, 10000 Zagreb, Croatia
Interests: colloid and interfacial chemistry; electrical interfacial layer; adsorption; thermochemistry
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Department of Chemistry, Division of Physical Chemistry, Faculty of Science, University of Zagreb, 10000 Zagreb, Croatia
Interests: physical chemistry of macromolecules; polyelectrolyte multilayers; polyelectrolyte complexes; colloid and interfacial chemistry; adsorption
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Guest Editor
Department of Chemistry, Faculty of Science, University of Zagreb, 10000 Zagreb, Croatia
Interests: nanofilms; polyelectrolyte monolayers; polyelectrolyte multilayers; nanoparticles; corrosion

Special Issue Information

Dear Colleagues,

In 2015, Nikola Kallay unexpectedly passed away at the age of 72. He had retired from the official positions he held at the University of Zagreb, Faculty of Science, in Croatia’s capital and was looking forward to diving into laboratory endeavors with this newfound freedom.

Prof. Kallay had an interesting practical course, where he allowed interested students to work on somewhat risky topics. The tasks required the students to dig into some hotly debated scientific issues or do try something completely new, for example. The outcomes of these practical courses often lead to new research lines in the years to follow.

The 2nd edition of this Special Issue is intended to give friends and collaborators the platform to remind the scientific community of their relationship to Niki and to share some unconventional or unexpected results just in the spirit of Niki’s scientific view.

Dr. Johannes Lützenkirchen
Prof. Dr. Tajana Begović
Prof. Dr. Davor Kovačević
Dr. Tin Klačić
Guest Editors

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Keywords

  • interfaces
  • surface potential
  • zeta-potential
  • adsorption
  • aggregation
  • thermodynamics

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Research

13 pages, 2669 KB  
Article
Computational Insights into Carbon Nanocones as Sorption Materials for Nerve Agent
by Veton Haziri, Avni Berisha and Klemen Bohinc
Colloids Interfaces 2026, 10(2), 26; https://doi.org/10.3390/colloids10020026 - 9 Mar 2026
Viewed by 1217
Abstract
The dangerous potential of chemical warfare requires immediate development of new materials capable of detecting and efficiently adsorbing the toxic nerve agents VX and Novichok (A-234). The current adsorbents fail to achieve sufficient detection efficiency and specific binding capabilities. Our research, conducted through [...] Read more.
The dangerous potential of chemical warfare requires immediate development of new materials capable of detecting and efficiently adsorbing the toxic nerve agents VX and Novichok (A-234). The current adsorbents fail to achieve sufficient detection efficiency and specific binding capabilities. Our research, conducted through advanced computational modeling, predicts that carbon nanocones (CNCs) could function as effective molecular traps for these toxic substances. The research combines density functional theory (DFT) with molecular dynamics (MD) and Monte Carlo (MC) simulations to explain the basic principles of molecular trapping by these agents. The nanocone shape produces two distinct and selective binding areas. MC shows preferential trapping VX molecules within the internal concave surface (P1), while A-234 molecules are strongly adsorbed on the external convex surface (P2). Docking results complement this by showing that A-234 exhibits stronger single-molecule binding on the more open surface, consistent with its preference for P2. The nanocone captures molecules through van der Waals forces, which produce measurable electronic changes that modify its electronic signature. The research demonstrates that carbon nanocones represent a promising candidate material for the future development of chemical defense systems, potentially including sensitive detection systems and advanced filtration technologies. Full article
(This article belongs to the Special Issue Ten Years Without Nikola Kallay: 2nd Edition)
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