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Self-assembly for hybrid biomaterial of uridine monophosphate to enhance the optical phenomena

Maroof Ahmad Khan, Yanhong Zhu, Shehwas Kalsoom, Mubashar Ilyas, Maria Zernab, Muhammad Ashraf, Muhammad Javed Iqbal, Muhammad Younis, Pengfei Wang, Umer Younis, Javed Iqbal, and Hui Li

Key Laboratory of Cluster Science of Ministry of Education, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, People’s Republic of China



Received: 7 March 2022  Accepted: 7 October 2022


Solving the structural behavior of RNA is a big challenge for understanding researchers and biogenetic engineers. We used the coordination tool to understand the UMP-RNA's structural revolution phenomena. Intimation occurred between UMP (uridine-5'-monophosphate) with copper metal ions with the help of resonating legends BPA (1,2-di(4-pyridyl) ethane). We successfully obtained self-assembled complex 2D chiral biomaterial, which is very interesting for its simplicity in preparation, highly tunable structure and properties, and excellent biocompatibility. Its structure evaluated (orthorhombic geometry, P212121 space group and CCDC # 1962481), chirality (P-HELIX) and mutation of UMP-RNA are investigated using single-crystal XRD. In addition, the electronic transition quickly occurred due to the presence of BPA (which acts as an electronic wire) and RNA-UMP (which acts as an electronic antenna) that compensate electronic cloud. The self-assembly for supramolecular coordination complex (UMP-Cu-BPA) of uridine monophosphate excellent shows the non-linear optics (NLO) properties confirmed via DFT calculation with basic benchmark sets that make confidential results. As a result, according to my best knowledge, we find the 1st time for the new class of nonlinear optics materials. HOMO–LUMO gap, frontier molecular orbital, hyperpolarizability, transition dipole moment density, the density of states (DOS) and molecular electrostatic potential of designed systems of UMP-Cu-BPA are all investigated. The computed absorption spectra of UMP, [BPA] and UMP-Cu-BPA are most closely similar to the obtained results. The phenyl ring of BPA and the phosphate group of UMP have a significant role in the NLO response. The first-, second- and third-order hyperpolarizability (frequency dependent) tremendously arises due to the transfer of charge from the donor to the acceptor moiety in the UMP-Cu-BPA. This experimental work provides a direction to researchers and genetic engineers to understand electronic behavior. It gives us the right choice about complex chiral biomaterial that considerably impacts the non-linear optical property.

Keywords: Uridine-5'-monophosphate (UMP); (1,2-Di(4-pyridyl) ethane) (BPA); Non-linear optics (NLO)

Full paper is available at

DOI: 10.1007/s11696-022-02556-8


Chemical Papers 77 (4) 1843–1860 (2023)

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