Abstract Clay minerals, widespread in natural soil environment, play important roles in the distribution of organics and their utilization by plants and microorganisms. Interface interactions of clay minerals and amino acids are essential for soil and life sciences. The bonding interaction between montmorillonite and lysine was studied systematically and comprehensively in this paper. The montmorillonite-lysine complexes were characterized by X-ray diffraction (XRD), attenuated total reflectance Fourier-transform infrared spectra (ATR-FTIR), X-ray photoelectron spectroscopy (XPS) and molecular simulation investigation. The results of XRD showed that interlayer spacing of montmorillonite increased or decreased with different amounts of lysine indicating two different bonding interactions. Amino acids adsorbed onto montmorillonite through the bonding interaction of electrostatic attraction between negatively charged surface of montmorillonite and NH3+ at the end of lysine on interlayer adsorption aspect as confirmed by XPS and ATR-FTIR spectroscopy. For edge adsorption aspect, the adsorption was through the bonding interaction between COO– group and > AlOH2+/>SiOH2+ groups. Electron localization function calculations for O, Si and Al atoms further demonstrated the bonding interaction of NH3+ groups and the Si O– groups intuitively. These findings give more understandings on the adsorption and distribution of amino acids in different sites of clay minerals.

中文翻译：

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赖氨酸与蒙脱石键合相互作用的光谱证据和分子模拟研究：对土壤有机氮分布的影响

摘要 粘土矿物广泛存在于自然土壤环境中，在有机物的分布及其植物和微生物的利用中起着重要作用。粘土矿物和氨基酸的界面相互作用对于土壤和生命科学至关重要。本文系统、全面地研究了蒙脱石与赖氨酸的键合相互作用。通过X射线衍射(XRD)、衰减全反射傅里叶变换红外光谱(ATR-FTIR)、X射线光电子能谱(XPS)和分子模拟研究对蒙脱石-赖氨酸配合物进行了表征。XRD结果表明蒙脱石的层间距随着赖氨酸含量的不同而增加或减少，表明两种不同的键合相互作用。XPS 和 ATR-FTIR 光谱证实了氨基酸通过蒙脱石带负电荷表面与赖氨酸末端 NH3+ 之间的静电引力的键合相互作用吸附在蒙脱石上。在边缘吸附方面，吸附是通过 COO– 基团和 > AlOH2+/>SiOH2+ 基团之间的键相互作用实现的。O、Si 和 Al 原子的电子局域化函数计算进一步直观地证明了 NH3+ 基团和 Si O- 基团的键合相互作用。这些发现使人们对氨基酸在粘土矿物不同位点的吸附和分布有了更多的了解。