Detection of Phenylalanine by Iridium Nanoclusters Using Time-Dependent Density Functional Theory Calculations

被引：0

作者：

Agrawal, Neelam ^{[1
]}

Bahota, Ashok Singh ^{[1
]}

Khan, Areeba ^{[1
]}

Chaudhary, Rajni ^{[1
]}

Singh, Keshav Kumar ^{[1
]}

Tandon, Poonam ^{[1
,2
]}

机构：

[1] Univ Lucknow, Dept Phys, Lucknow 226007, Uttar Pradesh, India

[2] Deen Dayal Upadhyaya Gorakhpur Univ, Gorakhpur 273009, Uttar Pradesh, India

来源：

ACS OMEGA | 2024年 / 9卷 / 36期

关键词：

AMINO-ACIDS; GOLD NANOCLUSTERS; GROWTH; SPECTRA; UV; CRYSTAL; ABSORPTION; PERFORMANCE; PROTEINS; TYROSINE;

D O I：

10.1021/acsomega.4c05684

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Metal nanoclusters have several applications in biological processes, medicine, cancer therapy, catalysis, etc. Iridium (Ir) nanoclusters exhibit excellent detection behavior compared to their bulk material. This work includes a deep insight into the interaction of Ir nanoclusters of four atoms (Ir-4) with amino acids and the analysis of Ir-amino acid (Ir-AAc) complexes. UV-visible spectroscopy of the Ir-4 nanocluster, amino acids, and their complexes was discussed as a way to detect amino acids with the help of the Ir-4 nanocluster. In UV-visible analysis, the UV-visible peak of phenylalanine (Phe) appeared at 204 nm with an excitation energy of 6.02 eV with a 0.0516 oscillator strength. Meanwhile, only in the Ir4 nanocluster-phenylalanine (Ir-Phe) complex, the UV-visible peak was observed at 661 nm with an excitation energy of 1.87 eV and oscillator strength of 0.0051. This peak was observed due to the transition from HOMO-1 to LUMO+3. In the other complexes, no UV-visible peaks are observed. Thus, the results predict that the Ir-4 nanocluster can be used in the detection of Phe via UV-visible spectra.

引用

页码：38186 / 38194

页数：9

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