Khalid Asma, Iqbal Shoaib, Siddiqui Muhammad Kamran, Zia Tariq Javed, Gegbe Brima
Department of Mathematics, Air University Islamabad, Multan Campus, Islamabad, Pakistan.
Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan.
Sci Rep. 2024 Nov 19;14(1):28669. doi: 10.1038/s41598-024-78045-7.
The porphyrazine structure, known for its high chemical and thermal stability, has become a significant focus in materials science, chemical reactivity, functionalization, and drug design. By utilizing the new Zagreb-type indices to analyze the chemical structure of porphyrazine, we can gather more information about their bonding and connecting patterns. This enables us to construct an entropy measure that helps evaluate the stability of the material and predict its behavior in different scenarios. Furthermore, establishing correlations between these indices and entropy using logarithmic regression models allows for a deeper understanding of complex properties of porphyrazine. This, in turn, opens up new possibilities for the compound's potential applications across various scientific and technical fields. In our work, we have used the M-polynomial to derive molecular descriptors for degree-based topological indices and determine the entropy of the porphyrazine structure based on these descriptors.
以其高化学稳定性和热稳定性而闻名的卟吩嗪结构,已成为材料科学、化学反应性、功能化和药物设计领域的一个重要焦点。通过利用新的 Zagreb 型指数来分析卟吩嗪的化学结构,我们可以收集到更多关于它们的键合和连接模式的信息。这使我们能够构建一种熵度量,有助于评估材料的稳定性并预测其在不同情况下的行为。此外,使用对数回归模型建立这些指数与熵之间的相关性,可以更深入地理解卟吩嗪的复杂性质。这反过来又为该化合物在各个科学和技术领域的潜在应用开辟了新的可能性。在我们的工作中,我们使用 M - 多项式来推导基于度的拓扑指数的分子描述符,并基于这些描述符确定卟吩嗪结构的熵。