首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Molecular Dynamics of a Hydrated Collagen Peptide: Insights into Rotational Motion and Residence Times of Single-Water Bridges in Collagen
【24h】

Molecular Dynamics of a Hydrated Collagen Peptide: Insights into Rotational Motion and Residence Times of Single-Water Bridges in Collagen

机译:水合胶原蛋白肽的分子动力学:胶原蛋白中单水桥的旋转运动和停留时间的见解。

获取原文
获取原文并翻译 | 示例
       

摘要

Magnetic resonance transverse spin relaxation time constants (T-2) of water protons in ordered collagenous tissues are dependent on the orientation of the tissue relative to the static magnetic field. This dependence is commonly referred to as the magic angle (MA) effect and has been attributed to the restricted rotational motion of icelike water bridges in the hydrated triple-helix collagen molecule. Understanding of the molecular mechanism of the MA effect is important for clinical and research applications of magnetic resonance spectroscopy and imaging to tissues, such as articular cartilage, tendons, and ligaments. In this work, we have used molecular dynamics simulations to investigate the subnanosecond time scale dynamics of single-water bridges in a model collagen peptide. We ascertain the residence times and the patterns of restricted rotational motion of water molecules. The key findings are strongly anisotropic rotation patterns of water molecules at bridge sites and a dynamic, rather than icelike, nature of the single-water bridges within the individual triple-helix collagen molecule.
机译:有序胶原组织中水质子的磁共振横向自旋弛豫时间常数(T-2)取决于组织相对于静磁场的方向。这种依赖性通常称为魔角(MA)效应,并且已归因于水合三螺旋胶原分子中冰状水桥的受限旋转运动。了解MA效应的分子机制对于磁共振波谱和对组织(例如关节软骨,肌腱和韧带)成像的临床和研究应用非常重要。在这项工作中,我们已经使用分子动力学模拟来研究模型胶原蛋白肽中单水桥的亚纳秒级时间尺度动力学。我们确定水分子的停留时间和受限的旋转运动模式。关键发现是桥位处水分子的强烈各向异性旋转模式,以及单个三螺旋胶原分子中单水桥的动态而非冰状性质。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号