Serine–Lysine Peptides as Mediators for the Production of Titanium Dioxide: Investigating the Effects of Primary and Secondary Structures Using Solid-State NMR Spectroscopy and DFT Calculations,The Journal of Physical Chemistry B

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Serine–Lysine Peptides as Mediators for the Production of Titanium Dioxide: Investigating the Effects of Primary and Secondary Structures Using Solid-State NMR Spectroscopy and DFT Calculations
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2018-03-29 00:00:00 , DOI: 10.1021/acs.jpcb.8b00745
Erika L. Buckle ₁ , June S. Lum ₂ , Adrienne M. Roehrich ₁ , Robert E. Stote ₂ , Branden Vandermoon ₁ , Martin Dracinsky ₃ , Shaun F. Filocamo ₂ , Gary P. Drobny ₁

Affiliation

A biomimetic approach to the formation of titania (TiO₂) nanostructures is desirable because of the mild conditions required in this form of production. We have identified a series of serine–lysine peptides as candidates for the biomimetic production of TiO₂ nanostructures. We have assayed these peptides for TiO₂-precipitating activity upon exposure to titanium bis(ammonium lactato)dihydroxide and have characterized the resulting coprecipitates using scanning electron microscopy. A subset of these assayed peptides efficiently facilitates the production of TiO₂ nanospheres. Here, we investigate the process of TiO₂ nanosphere formation mediated by the S–K peptides KSSKK- and SKSK₃SKS using one-dimensional and two-dimensional solid-state NMR (ssNMR) on peptide samples with uniformly ¹³C-enriched residues. ssNMR is used to assign ¹³C chemical shifts (CSs) site-specifically in each free peptide and TiO₂-embedded peptide, which are used to derive secondary structures in the neat and TiO₂ coprecipitated states. The backbone ¹³C CSs are used to assess secondary structural changes undergone during the coprecipitation process. Side-chain ¹³C CS changes are analyzed with density functional theory calculations and used to determine side-chain conformational changes that occur upon coprecipitation with TiO₂ and to determine surface orientation of lysine side chains in TiO₂–peptide composites.

中文翻译：

丝氨酸赖氨酸肽作为生产二氧化钛的介体：使用固态NMR光谱和DFT计算研究一级和二级结构的影响

由于仿生方法需要这种生产形式的温和条件，因此需要仿生方法来形成二氧化钛（TiO ₂）纳米结构。我们已经鉴定出一系列丝氨酸-赖氨酸肽作为TiO ₂纳米结构仿生生产的候选物。我们已经测定了这些肽在暴露于双（乳酸铵）二氢氧化钛时的TiO ₂沉淀活性，并使用扫描电子显微镜表征了所得的共沉淀物。这些测定的肽的子集有效地促进了TiO ₂纳米球的生产。在这里，我们研究由S–K肽KSSKK-和SKSK ₃介导的TiO ₂纳米球形成过程。SKS使用一维和二维固态NMR（ssNMR）对具有均一¹³ C富集残基的肽样品进行分析。ssNMR用于在每个游离肽和TiO ₂嵌入的肽中指定位点特异性的¹³ C化学位移（CSs），这些化学位移用于衍生纯净和TiO ₂共沉淀状态的二级结构。骨架¹³ C CS用于评估共沉淀过程中发生的二级结构变化。用密度泛函理论计算分析侧链¹³ C CS的变化，并用于确定与TiO ₂共沉淀时发生的侧链构象变化并确定TiO _2-肽复合物中赖氨酸侧链的表面取向。

更新日期：2018-03-29

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