Jangir Anil Kumar, Lad Bhoomi, Dani Unnati, Shah Nehal, Kuperkar Ketan
Department of Applied Chemistry, Sardar Vallabhbhai National Institute of Technology Surat-395 007 Gujarat India
Department of Biotechnology, Shree Ramkrishna Institute of Computer Education and Applied Science Surat-395 001 Gujarat India.
RSC Adv. 2020 Jun 24;10(40):24063-24072. doi: 10.1039/c9ra10320a. eCollection 2020 Jun 19.
Green solvents are actively taking over as the absolute replacement of intrinsic toxic volatile organic solvents. This is conspicuously analyzed in this study, which mentions the preparation of green deep eutectic solvent derivatives (DESDs) composed of choline chloride (ChCl) as the hydrogen bond acceptor (HBA) and two acids, , oxalic acid (OX) and citric acid (CA) as preliminary hydrogen bond donors (HBDs) with ethylene glycol (EG) and glycerol (GLY) as secondary HBDs in an equimolar ratio. This study exposes the vigilant choice of the type and mole ratio of HBA and HBDs, which permit the extended stability of the formulated DESDs in the liquid state even below the room temperature. The prepared DESDs were well-characterized by FT-IR spectroscopy. Furthermore, this work aimed at investigating their antimicrobial activity towards selected bacterial and fungal strains expressed in terms of viscosity measurements. The toxicity profiles in terms of cytotoxicity (human cervical cancer cell line) and genotoxicity (DNA fragmentation), which have not been reported to date, were also assessed for the prepared DESDs. Tuning the HBA and HBDs in selected DESDs for promising biological activity was found to have ethical implications. In addition, this study focused on the solubilization enhancement of the local anaesthetic drug lidocaine (LDC) in the stated DESDs as a function of water composition, and higher solubility was observed due to the fair intermolecular hydrogen bonding interactions between LDC and DESDs, which was further validated using the computational simulation approach. In addition, the electron-donating and accepting sites were depicted by 3D-molecular electrostatic potential (3D-MEP) for the examined systems. The observed variations were attributed to the changes in the solvation capacity, viscosity and ionic strength of pure DESDs as a function of water concentration. Finally, this study supports the role of dual HBDs in leading to the formation of stable DESDs with noteworthy action towards drug solubilization and a remarkable biological response.
绿色溶剂正积极取代本质上有毒的挥发性有机溶剂。本研究对此进行了显著分析，其中提到了绿色低共熔溶剂衍生物（DESDs）的制备，该衍生物由作为氢键受体（HBA）的氯化胆碱（ChCl）以及两种酸，即作为初级氢键供体（HBDs）的草酸（OX）和柠檬酸（CA）与作为次级HBDs的乙二醇（EG）和甘油（GLY）以等摩尔比组成。本研究揭示了对HBA和HBDs类型及摩尔比的谨慎选择，这使得所配制的DESDs即使在室温以下也能在液态下具有更长的稳定性。所制备的DESDs通过傅里叶变换红外光谱（FT - IR）进行了充分表征。此外，这项工作旨在通过粘度测量来研究它们对选定细菌和真菌菌株的抗菌活性。还评估了所制备的DESDs在细胞毒性（人宫颈癌细胞系）和遗传毒性（DNA片段化）方面的毒性特征，这些特征迄今尚未见报道。发现调整选定DESDs中的HBA和HBDs以获得有前景的生物活性具有伦理意义。此外，本研究关注局部麻醉药利多卡因（LDC）在所陈述的DESDs中的增溶作用与水组成的关系，并且由于LDC与DESDs之间存在适度的分子间氢键相互作用，观察到了更高的溶解度，这通过计算模拟方法进一步得到了验证。此外，通过三维分子静电势（3D - MEP）描绘了所研究体系的给电子和接受位点。观察到的变化归因于纯DESDs的溶剂化能力、粘度和离子强度随水浓度的变化。最后，本研究支持了双HBDs在形成稳定DESDs方面的作用，这些DESDs对药物增溶具有显著作用并引发显著的生物反应。
