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Catalyzing the Hydrogenation of Nitro Group to Amino Group From Agent-Based Models to Takagi–Sugeno Linear Differential
using Greenly Synthesized Fe₃O₄ Nanoparticles for Water Equations (TS-LDEs): A Fuzzy-Logic Bridge Between Discrete and

Purification Continuous Dynamics

Author(s): Author(s):

Ahmad, Z. (University of Swabi), Rauf, A. (University of Swabi), Ajaj, R. (Abu Dhabi University), Zhang, H. (Changchun Bouhanch, Z. (Sidi Mohamed Ben Abdellah University), El Moutaouakil, K. (Sidi Mohamed Ben Abdellah University), Tridane,
Institute of qApplied Chemistry, Chinese Academy of Sciences), Bahattab, O. S. (University of Tabuk), Al-Awthan, Y. S. A. (United Arab Emirates University), Laatabi, A. (Moulay Ismail University), Benrhmach, G. (Abu Dhabi University)
(University of Tabuk), Hemeg, H. A. (Taibah University)
Index Terms:
Index Terms:
Autonomous agents; Computational methods; Continuous time systems; Differential equations; Dynamics; Fuzzy inference;
Catalyst activity; Efficiency; Iron oxides; Kinetic theory; Kinetics; Nanoparticles; Plant extracts; Purification; Rate constants; Fuzzy rules; Large scale systems; Water resources; Agent-based model; Continuous dynamics; Discrete dynamics; Fuzzy-
Remediation; Synthesis (chemical); % reductions; 4-Nitrophenol; Amino group; Catalyse; Euphorbium milli; Functional Logic; Gray-box models; Grey-box models; Interpretability; Linear differential equation; Takagi-sugeno; Takagi–sugenu
group transformations; Kinetic study; NaBH 4; Nitro group; Synthesised; Catalysis; Sodium Borohydride; 4 nitrophenol; model; Sensitivity analysis
Euphorbia milii extract; iron oxide nanoparticle; nitric oxide; plant extract; unclassified drug; catalysis; concentration
(composition); nanoparticle; organic pollutant; phenol; reaction kinetics; water treatment; Article; enzyme activity; Abstract:
Euphorbia; Euphorbia milii; Fourier transform infrared spectroscopy; hydrogenation; nonhuman; oxidative stress;
pH; scanning electron microscopy; temperature; transmission electron microscopy; ultraviolet spectroscopy; water This paper introduces the Takagi–Sugeno Latent Differential Equation (TS-LDE) framework as a gray-box modeling
management; X ray diffraction paradigm that bridges the gap between the microscopic interpretability of agent-based models (ABM) and the analytical
tractability of continuous-time dynamical systems. Unlike traditional black-box simulations, TS-LDE explicitly captures

Abstract: latent system dynamics while preserving transparency in the rule-based structure, enabling both explanatory insight and
predictive capability. To demonstrate the applicability of the proposed framework, we present four illustrative domains,

This study investigates the synthesis, characterization, and catalytic application of Fe3O4 nanoparticles (NPs) derived from climate dynamics (CO–temperature interaction), epidemic spreading (SIR), financial contagion, and water/agricultural
the Euphorbia milii leaf extract. The nanoparticles were synthesized by reducing iron salts (FeSO₄ and FeCl₃) in the presence resource management, as pedagogical demonstrations of the TS-LDE identification pipeline. Each case study serves as a
of the plant extract, with the formation of Fe3O4 confirmed through UV–visible, FTIR, and SEM analyses. The catalytic activity step-by-step illustration of the modeling process: from ABM-inspired data generation, local parameter identification, and
of Fe3O4 NPs was evaluated through the reduction of 4-nitrophenol (4NP) to amino phenol in the presence of sodium fuzzy rule construction, to TS-LDE simulation and sensitivity analysis. Our results show that the TS-LDE models reproduce
borohydride (NaBH4). The reaction exhibited a high reduction in efficiency, achieving 82.63% conversion at 20 min at a 0.1 the essential dynamics observed in their ABM counterparts while offering enhanced stability, smoother trajectories, and
mM 4NP concentration. The reduction reached 80.36% at 0.2 mM 4NP after 24 min, highlighting the influence of substrate greater interpretability. This gray-box approach thus provides a structured and computationally efficient alternative to
concentration on the reaction rate. Optimization of reaction conditions revealed that a 2.0 mM NaBH4 concentration purely agent-based simulations, serving as a unifying surrogate framework for the analysis of complex systems across
achieved the highest reduction, with a 90.68% conversion within 14 min. Kinetic studies indicated that the reduction domains. The proposed methodology highlights how data-driven yet interpretable dynamical modeling can support
followed pseudo-first-order kinetics with an apparent rate constant (kapp) of 0.0962 min⁻1 and an R2 value of 0.9424. The deeper understanding, policy assessment, and pedagogical exploration of interconnected socio-environmental and
recyclability of the catalyst was also evaluated, showing that Fe3O4 NPs maintained 82.63% reduction efficiency in the first financial systems.
cycle, which decreased to 71.09% in the third cycle. These findings highlights the potential of Fe3O4 NPs for environmental
and industrial applications, particularly in catalytic remediation of organic pollutants. Read the paper

Read the paper

Abu Dhabi University | Research and Innovation Pulse Newsletter 33