Azeem Muhammad, Asif Muhammad, Gui Di, Dong Liyuan, Pei Chunlei, Lu Peixiang, Li Wei
School of Physics, Huazhong University of Science and Technology Wuhan 430074 China.
School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology Wuhan 430074 China.
RSC Adv. 2019 Apr 30;9(23):13153-13158. doi: 10.1039/c9ra00385a. eCollection 2019 Apr 25.
Coordination polymer based dietary supplement tablets are commonly consumed in our daily life and play an important role in the pharmaceutical industry. To fully understand their tableting process, their mechanical properties need to be comprehensively studied. In this work, the elastic and hydrostatic behaviour of a zinc supplement, zinc glycinate hydrate (Zn[OCCHNH]·HO), have been studied density functional theory (DFT) calculations and high-pressure synchrotron powder X-ray diffraction. This material has a pseudo-layered structure and can be successfully exfoliated into nanosheets. The DFT calculated elastic moduli along the principal axes (13.84-36.11 GPa) indicate a significant elastic anisotropy of ZnG as expected for a layered system, and the directional dependent elastic modulus can be corroborated with the underlying atomic structure. In addition, the calculated / ratios (1.30-3.83) according to Pugh's criterion reveal that ZnG could be brittle under uniaxial stress ( and are bulk modulus and shear modulus, respectively). Furthermore, the measured is ∼31 GPa, which lies in the middle of the values between inorganic dietary supplements and small organic drug crystals. These results provide some quantitative information about the tableting process of the hybrid dietary supplement which could be different from their inorganic and organic pharmaceutical counterparts.
基于配位聚合物的膳食补充剂片剂在我们的日常生活中经常被食用，并且在制药行业中发挥着重要作用。为了全面了解它们的压片过程，需要对其机械性能进行全面研究。在这项工作中，通过密度泛函理论（DFT）计算和高压同步辐射粉末X射线衍射，研究了一种锌补充剂——甘氨酸锌水合物（Zn[OCCHNH]·HO）的弹性和流体静力行为。这种材料具有准层状结构，并且可以成功剥离成纳米片。沿主轴方向DFT计算得到的弹性模量（13.84 - 36.11 GPa）表明，正如层状体系所预期的那样，ZnG具有显著的弹性各向异性，并且方向依赖性弹性模量可以通过其底层原子结构得到证实。此外，根据普格准则计算得到的/比值（1.30 - 3.83）表明，ZnG在单轴应力下可能是脆性的（和分别是体积模量和剪切模量）。此外，测得的值约为31 GPa，这处于无机膳食补充剂和小有机药物晶体的值之间。这些结果提供了一些关于混合膳食补充剂压片过程的定量信息，这可能与它们的无机和有机药物对应物不同。
