کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7792609 | 1500656 | 2014 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Exploring the molecular basis for the metal-mediated assembly of alginate gels
ترجمه فارسی عنوان
بررسی مبنای مولکولی برای مونتاژ فلزات ژل آلژینات
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کلمات کلیدی
آلژینات سدیم، ژل آلژینات، دینامیک مولکولی، هماهنگی کلسیم،
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
چکیده انگلیسی
The binding of sodium and calcium ions to single and multiple poly-G decamer strands has been modelled by conducting a series of molecular dynamics simulations. Implications for metal mediated inter-strand interactions and gel assembly have been explored by systematically introducing up to three strands into each of these simulations. A particular emphasis has been placed on revealing intrinsic binding modes by an unbiased initial positioning of the metal ions. The results have revealed binding modes that provide a rationale for the observed gelling of alginate by calcium rather than sodium ions. A number of junction zones involving calcium ions have been identified that result in chain aggregation. This includes a distinctive perpendicular motif that appears to be ubiquitous in previously reported AFM images of open 3-D alginate networks. The coordination geometries of the metal ions have been characterised and the metal-mediated junctions between associated strands are described in detail.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Carbohydrate Polymers - Volume 102, 15 February 2014, Pages 246-253
Journal: Carbohydrate Polymers - Volume 102, 15 February 2014, Pages 246-253
نویسندگان
Matthew B. Stewart, Stephen R. Gray, Todor Vasiljevic, John D. Orbell,