"Petru Poni" Institute of Macromolecular Chemistry, 41A Gr. Ghica Voda Street, 700487 Iasi, Romania.
Department of Natural and Synthetic Polymers, "Gheorghe Asachi" Technical University of Iasi, 700050 Iasi, Romania.
Molecules. 2021 Apr 6;26(7):2089. doi: 10.3390/molecules26072089.
The aim of the study was to create a mathematical model useful for monitoring the release of bioactive aldehydes covalently bonded to the chitosan by reversible imine linkage, considered as a polymer-drug system. For this purpose, two hydrogels were prepared by the acid condensation reaction of chitosan with the antifungal 2-formyl-phenyl-boronic acid and their particularities; influencing the release of the antifungal aldehyde by shifting the imination equilibrium to the reagents was considered, i.e., the supramolecular nature of the hydrogels was highlighted by polarized light microscopy, while scanning electron microscopy showed their microporous morphology. Furthermore, the in vitro fungicidal activity was investigated on two fungal strains and the in vitro release curves of the antifungal aldehyde triggered by the pH stimulus were drawn. The theoretical model was developed starting from the hypothesis that the imine-chitosan system, both structurally and functionally, can be assimilated, from a mathematical point of view, with a multifractal object, and its dynamics were analyzed in the framework of the Scale Relativity Theory. Thus, through Riccati-type gauges, two synchronous dynamics, one in the scale space, associated with the fungicidal activity, and the other in the usual space, associated with the antifungal aldehyde release, become operational. Their synchronicity, reducible to the isomorphism of two SL(2R)-type groups, implies, by means of its joint invariant functions, bioactive aldehyde compound release dynamics in the form of "kink-antikink pairs" dynamics of a multifractal type. Finally, the theoretical model was validated through the experimental data.
本研究旨在创建一个数学模型，用于监测通过可逆亚胺键共价键合到壳聚糖上的生物活性醛的释放，该亚胺键合被认为是一种聚合物-药物系统。为此，通过壳聚糖与抗真菌 2-甲酰基苯硼酸的酸缩合反应制备了两种水凝胶，并考虑了它们的特殊性；通过将亚胺化平衡转移到试剂上来影响抗真菌醛的释放，即通过偏光显微镜突出了水凝胶的超分子性质，而扫描电子显微镜则显示了它们的微孔形态。此外，还研究了两种真菌菌株的体外杀菌活性，并绘制了 pH 刺激引发的抗真菌醛体外释放曲线。该理论模型是从这样的假设出发建立的，即从结构和功能的角度来看，亚胺-壳聚糖系统可以被数学上与多分形对象同化，并且其动力学在标度相对论理论的框架内进行了分析。因此，通过 Riccati 型量规，两种同步动力学，一种在标度空间中，与杀菌活性相关联，另一种在通常空间中，与抗真菌醛释放相关联，变得可行。它们的同步性，可以简化为两个 SL(2R)类型组的同构，通过其联合不变函数，以多分形类型的“扭结-反扭结对”动力学的形式，揭示生物活性醛化合物释放的动力学。最后，通过实验数据验证了理论模型。
