Molecular Mechanism of Water Transport Through Cellulose Cell Wall Matrix

Jiaqi Sun, Xinrong Zhang
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Abstract

In plant living tissue, water can flow across cells by different paths, through cell membranes (transcellular path) and plasmodesmata (symplastic path), or through the continuous cell walls matrix (apoplastic path). The relative contribution of these three paths in living tissue is currently unclear and could vary according to species, tissue developmental stage or physiological conditions. Experiments suggested that apoplastic water movement predominates during transpiration. The objective of this study was to investigate the hydraulic process of cellulose cell wall pathway. The effective pore diameter for water flow through the primary wall matrix is between 2 and 20nm. Inside the cell wall polymer porous, there exist hydrophilic/hydrophobic crystal surfaces based on structure anisotropic. Besides, hydrogen bonding and electrostatic interaction and van der Waals (vdW) dispersion force play an important role in water transport inside the Nano cellulose porous. Therefore, the molecular dynamics simulation was applied to reveal the molecular mechanism of surface boundary effect together with various driving force during water passing through cellulose cell wall matrix Nano channel.
纤维素细胞壁基质中水转运的分子机制
在植物活组织中,水可以通过不同的途径流过细胞,通过细胞膜(跨细胞途径)和胞间连丝(共塑途径),或通过连续的细胞壁基质(胞外途径)。这三种途径在活组织中的相对作用目前尚不清楚,可能因物种、组织发育阶段或生理条件而异。实验表明,在蒸腾过程中,外体水分运动占主导地位。本研究的目的是研究纤维素细胞壁途径的水力过程。水通过原生壁基质的有效孔径在2 ~ 20nm之间。聚合物细胞壁内部多孔,存在基于结构各向异性的亲疏水晶体表面。此外,氢键、静电相互作用和范德华(vdW)分散力在纳米纤维素孔内的水输运中起重要作用。因此,通过分子动力学模拟,揭示了水通过纤维素细胞壁基质纳米通道时表面边界效应及各种驱动力的分子机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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