罗丹宁-3-乙酸基化合物的合成、表征及结合相互作用。

IF 1.8
Varinder Singh, Pawan Mandal, Navalpreet Kaur, Debasis Bora, Ritu Gupta, Aditya Kumar, Meghna Sharma, Gaurav Sanghvi, Syed Ahmar Ali Hashmi, Sudhanshu Kumar Jha, Keshav Taruneshwar Jha
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引用次数: 0

摘要

潜在指纹是法医鉴定的基石。然而,它们的可视化是一项技术挑战——高度依赖于收集指纹的表面性质、环境暴露和所使用的检测剂。本文报道了用Knoevenagel缩合法制备的新化合物[5-苄基-4-氧-2-硫氧-1,3-噻唑烷-3-基]乙酸(化合物3),并用1H NMR和FTIR进行了表征。系统地评估了其在各种表面上开发潜在指纹的能力,包括大理石,胶合板,玻璃,塑料片,银箔,人体皮肤,橡胶手套和温度计。理论研究(密度泛函理论和分子对接分析)探讨了与丝氨酸的相互作用,强调了特异性结合相互作用在指纹发育中的作用。这种创新的方法,混合了合成化学,光谱技术和理论研究,为未来开发新的潜在指纹剂铺平了道路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Synthesis, characterization, and binding interactions of rhodanine-3-acetic acid-based compound for latent fingerprint development.

Latent fingerprints constitute a cornerstone of forensic identification. However, their visualization is a technical challenge-highly dependent on the nature of the surface from where fingerprints are collected, environmental exposure, and the detection agent applied. Herein, we report the preparation of a new compound, [5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl] acetic acid (compound 3), by Knoevenagel condensation and characterization by 1H NMR and FTIR. Its ability to develop latent fingerprints was systematically assessed on a wide variety of surfaces, including marble, plywood, glass, plastic sheet, silver foil, human skin, rubber gloves, and thermocol. Theoretical studies (density functional theory and molecular docking analyses) explored interactions with serine, highlighting the role of specific binding interactions in fingerprint development. This innovative approach, blending synthetic chemistry, spectroscopic techniques, and theoretical studies, paves the way for the development of new latent fingerprint agents in the future.

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