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Computational and experimental insights into the molecular architecture of water-cellulose networks
Matter ( IF 17.3 ) Pub Date : 2023-05-03 , DOI: 10.1016/j.matt.2023.03.021
Khandoker Samaher Salem , Nelson Barrios , Hasan Jameel , Lokendra Pal , Lucian Lucia

The current perspective attempts to provide key insights into several major aspects of water solvation supported by several experimental and computational investigations. It is postulated that water is not just a common solvent from the framework of the molecular level, but in fact can play the role of a co-reactant or induce an “organizational constraint” (e.g., crystallization) to regulate the rate of chemical reactions. The focus of our perspective is to provide insight into these phenomena; we will cast our net toward the formation of putative water molecules' stacking around the three-dimensional network of the cellulose, the most abundant biomaterial on the planet, which is further mitigated by hydrogen bonding and water-cellulose molecular architecture on the morphology, properties, and chemical reactivity of micro- and nanocellulose. Our perspective also introduces the idea of water hydration shells present immediate to the hydrophilic surface of the cellulose that can help articulate water chemistry and the challenges it presents during drying.



中文翻译:

水-纤维素网络分子结构的计算和实验见解

目前的观点试图提供对水溶剂化的几个主要方面的关键见解,这些方面得到了一些实验和计算研究的支持。据推测,从分子水平的框架来看,水不仅是一种常见的溶剂,而且实际上可以起到共反应物的作用或诱导“组织约束”(如结晶)来调节化学反应的速率. 我们观点的重点是提供对这些现象的洞察;我们将把我们的网撒在纤维素的三维网络周围形成假定的水分子堆叠,纤维素是地球上最丰富的生物材料,氢键和水-纤维素分子结构在形态、性质上进一步减轻了这种情况,以及微纤维素和纳米纤维素的化学反应性。

更新日期:2023-05-03
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