Nayra A. M. Moussa is a PhD student in the inorganic chemistry program offered by the Faculty of Science, Minia University. Her MSc. thesis is mainly relevant to quantum chemistry approaches and was entitled “Quantum Mechanical Investigation of Noncovalent Interactions in Electrostatic Hole-Containing Complexes” (2021). She obtained her BSc. from Minia University (2019). Ms. Moussa published 30 papers in appreciable international journals (h-index = 8). She was a reviewer board member in numerous highly ranked international journals. She was an affiliated member of the Egyptian Young Academy of Sciences (EYAS). She also participated in versatile international conferences with a plethora of oral presentations. Recently, she participated in the International Student Practice at the Joint Institute for Nuclear Research, Dubna, Russia (2022). Her research interests focus basically on quantum chemistry and its applications in versatile disciplines, including noncovalent interactions, drug
RESEARCH, TEACHING, or OTHER INTERESTS
Physical and Theoretical Chemistry
44
Scopus Publications
Scopus Publications
Deep Learning-Enhanced Nanozyme-Based Biosensors for Next-Generation Medical Diagnostics Seungah Lee, Nayra A. M. Moussa, Seong Ho Kang Biosensors, 2025 The integration of deep learning (DL) and nanozyme-based biosensing has emerged as a transformative strategy for next-generation medical diagnostics. This review explores how DL architectures enhance nanozyme design, functional optimization, and predictive modeling by elucidating catalytic mechanisms such as dual-atom active sites and substrate-surface interactions. Key applications include disease biomarker detection, medical imaging enhancement, and point-of-care diagnostics aligned with the ASSURED criteria. In clinical contexts, advances such as wearable biosensors and smart diagnostic platforms leverage DL for real-time signal processing, pattern recognition, and adaptive decision-making. Despite significant progress, challenges remain—particularly the need for standardized biomedical datasets, improved model robustness across diverse populations, and the clinical translation of artificial intelligence (AI)-enhanced nanozyme systems. Future directions include integration with the Internet of Medical Things, personalized medicine frameworks, and sustainable sensor development. The convergence of nanozymes and DL offers unprecedented opportunities to advance intelligent biosensing and reshape precision diagnostics in healthcare.
Plasmonic Nanostructures for Exosome Biosensing: Enabling High-Sensitivity Diagnostics Seungah Lee, Nayra A. M. Moussa, Seong Ho Kang Nanomaterials, 2025 Exosomes are nanoscale extracellular vesicles (EVs) that carry biomolecular signatures reflective of their parent cells, making them powerful tools for non-invasive diagnostics and therapeutic monitoring. Despite their potential, clinical application is hindered by challenges such as low abundance, heterogeneity, and the complexity of biological samples. To address these limitations, plasmonic biosensing technologies—particularly propagating surface plasmon resonance (PSPR), localized surface plasmon resonance (LSPR), and surface-enhanced Raman scattering (SERS)—have been developed to enable label-free, highly sensitive, and multiplexed detection at the single-vesicle level. This review outlines recent advancements in nanoplasmonic platforms for exosome detection and profiling, emphasizing innovations in nanostructure engineering, microfluidic integration, and signal enhancement. Representative applications in oncology, neurology, and immunology are discussed, along with the increasingly critical role of artificial intelligence (AI) in spectral interpretation and diagnostic classification. Key technical and translational challenges—such as assay standardization, substrate reproducibility, and clinical validation—are also addressed. Overall, this review highlights the synergy between exosome biology and plasmonic nanotechnology, offering a path toward real-time, precision diagnostics via sub-femtomolar detection of exosomal miRNAs through next-generation biosensing strategies.
Pristine and Alkaline Earth Metal-Decorated C24N24 Fullerenes as Potential Sensors for Halomethanes: A Comparative DFT Investigation Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, Al‐shimaa S. M. Rady, Gamal A. H. Mekhemer, Mohamed A. El‐Tayeb, et al. Chemistryselect, 2025 In this paper, attempts were made to investigate the adsorption potential of pristine and alkaline earth metal (AEM)‐decorated C24N24 fullerenes toward the halomethanes (XCH3, where X═F, Cl, and Br). By means of DFT calculations, the XCH3⋯C24N24 and ⋯AEM@C24N24 complexes (AEM═Be and Mg) were adequately examined. Upon energetic features, the FCH3⋯Mg@C24N24 complex exhibited the most negative adsorption and interaction energies with values of −21.01 and −22.61 kcal/mol, respectively. From thermodynamic analysis, spontaneous and exothermic natures of XCH3⋯Mg@C24N24 interactions were affirmed, unveiling favorable role of Mg decoration in enhancing the adsorption process. From SAPT analysis, the electrostatic forces dominated the interactions within the XCH3⋯C24N24 and ⋯Be/Mg@C24N24 complexes. Upon FMOs analysis, notable alterations in the distribution of molecular orbitals of studied fullerenes were noticed, indicating the effect of XCH3 adsorption on the electronic features of the studied fullerenes. Further, the Egap values were decreased after the adsorption process which enhanced electrical conductivity of studied fullerens. From DOS plots, the capacity of the C24N24 and Be/Mg@C24N24 to adsorb the XCH3 molecules was affirmed. Solvation energies demonstrated the favorability of the studied adsorption process in the water phase. The present findings established C24N24 and AEM@C24N24 fullerenes as potential effective candidates for detecting halomethanes.
MoS2–Plasmonic Hybrid Platforms: Next-Generation Tools for Biological Applications Nayra A. M. Moussa, Seungah Lee, Seong Ho Kang Nanomaterials, 2025 The combination of molybdenum disulfide (MoS2) with plasmonic nanomaterials has opened up new possibilities in biological applications by combining MoS2’s biocompatibility and high surface area with the optical sensitivity of plasmonic metals. These MoS2–plasmonic hybrid systems hold great promise in areas such as biosensing, bioimaging, and phototherapy, where their complementary properties facilitate improved detection, real-time visualization, and targeted therapeutic interventions. MoS2’s adjustable optical features, combined with the plasmon resonance of noble metals such as gold and silver, enhance signal amplification, enabling detailed imaging and selective photothermal or photodynamic therapies while minimizing effects on healthy tissue. This review explores various synthesis strategies for MoS2–plasmonic hybrids, including seed-mediated growth, in situ deposition, and heterojunction formation, which enable tailored configurations optimized for specific biological applications. The primary focus areas include highly sensitive biosensors for detecting cancer and infectious disease biomarkers, high-resolution imaging of cellular dynamics, and the development of phototherapy methods that allow for accurate tumor ablation through light-induced thermal and reactive oxygen species generation. Despite the promising advancements of MoS2–plasmonic hybrids, translating these platforms into clinical practice requires overcoming considerable challenges, such as synthesis reproducibility, toxicity, stability in physiological conditions, targeted delivery, and scalable manufacturing. Addressing these challenges is essential for realizing their potential as next-generation tools in diagnostics and targeted therapies.
On the Versatility of the sp-, sp2-, and sp3-Hybridized Chalcogen-Bearing Molecules To Engage in Type I Chalcogen···Chalcogen Interactions: A Quantum Mechanical Investigation of Like···Like and Unlike Complexes Mahmoud A. A. Ibrahim, Rehab R. A. Saeed, Mohammed N. I. Shehata, Nayra A. M. Moussa, Mahmoud E. S. Soliman, et al. ACS Omega, 2024 The predilection of sp-, sp2-, and sp3-hybridized chalcogen-bearing molecules to engage in type I chalcogen···chalcogen interactions was comparatively unveiled in like···like/unlike CY···YC, YCY···YCY, and F2Y···YF2 (where Y = O, S, and Se) complexes, respectively. Upon the optimized monomers, a potential energy surface (PES) scan was conducted to pinpoint the most favorable complexes. The energetic findings unveiled the ability of the investigated systems to engage in the interactions under study with binding energy values ranging from −0.36 to −2.33 kcal/mol. Notably, binding energies were disclosed to align in the posterior sequence; sp2- (i.e., YCY···YCY) > sp- (i.e., CY···YC) > sp3- (i.e., F2Y···YF2) hybridized complexes, except the like···like oxygen-bearing complexes. Instead, the highest negative binding energy values were detected for the OCO···OCO followed by those of the F2O···OF2 and CO···OC complexes. Furthermore, the like···like selenium-bearing complexes demonstrated the most considerable binding energies compared to the other investigated complexes. Remarkably, the quantum theory of atoms in molecules and noncovalent interaction index analyses revealed the highly directional and closed-shell nature of the investigated chalcogen···chalcogen interactions. Symmetry adapted-perturbation theory findings outlined the dispersion forces as the commanding forces for all the studied complexes. These observations will provide convincing justifications for the nature of chalcogens within type I chalcogen···chalcogen interactions, leading to increased progress in various domains regarding drug design and materials science.