Nadarajah A, Li M, Pusey M L
Department of Chemical and Materials Engineering, University of Alabama in Huntsville, 35899, USA.
Acta Crystallogr D Biol Crystallogr. 1997 Sep 1;53(Pt 5):524-34. doi: 10.1107/S0907444997003041.
The measured macroscopic growth rates of the (110) face of tetragonal lysozyme show an unexpectedly complex dependence on the supersaturation. In earlier studies it has been shown that an aggregate growth unit could account for experimental growth-rate trends. In particular molecular packing and interactions in the growth of the crystal were favored by completion of the helices along the 4(3) axes. In this study the molecular orientations of the possible growth units and the molecular growth mechanism were identified. This indicated that growth was a two-step process: aggregate growth units corresponding to the 4(3) helix are first formed in the bulk solution by stronger intermolecular bonds and then attached to the crystal face by weaker bonds. A more comprehensive analysis of the measured (110) growth rates was also undertaken. They were compared with the predicted growth rates from several dislocation and two-dimensional nucleation growth models, employing tetramer and octamer growth units in polydisperse solutions and monomer units in monodisperse solutions. The calculations consistently showed that the measured growth rates followed the expected model relations with octamer growth units, in agreement with the predictions from the molecular level analyses.
四方晶系溶菌酶(110)面的实测宏观生长速率对过饱和度呈现出出人意料的复杂依赖性。在早期研究中已表明,一个聚集体生长单元可以解释实验生长速率趋势。特别是,晶体生长过程中的分子堆积和相互作用因沿4(3)轴的螺旋结构的完成而受到促进。在本研究中,确定了可能的生长单元的分子取向和分子生长机制。这表明生长是一个两步过程:对应于4(3)螺旋的聚集体生长单元首先通过较强的分子间键在本体溶液中形成,然后通过较弱的键附着到晶体表面。还对实测的(110)生长速率进行了更全面的分析。将它们与几种位错和二维成核生长模型预测的生长速率进行了比较,在多分散溶液中采用四聚体和八聚体生长单元,在单分散溶液中采用单体单元。计算结果一致表明,实测生长速率与八聚体生长单元的预期模型关系相符,这与分子水平分析的预测一致。