02446nas a2200277   4500008004100000022001400041245017700055210006900232260000800301300001100309490000900320520145300329653001601782653002201798653002201820653002101842653002101863100002801884700001901912700001801931700001801949700002501967700001901992700002702011856013002038       2023                        eng d  a0022-286000aInteractive study of Au-20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction0 aInteractive study of Au20 nanocluster and methyl substituted ami  cJAN  a1341770 v12723 a<p>
	Investigations on UV-vis, steady-state fluorescence and synchronous fluorescence properties of human hemoglobin (HHb) reveals greater spectral shifts in peaks arising due to alterations in microenvironment of Tyr-compared to Trp-during interactions with gold nanoparticle (GNP). Besides, interactions of Au-20 nanocluster with modified Tyr/Trp (possessing methyl substituted amide bonds) by quantum chemical calculations demonstrate significant role of amide bonds and the spectral shift, binding energy and alteration in bond distances appear to be higher for modified Tyr-compared to modified Trp. Moreover, close resemblance of frequency shift of modified Tyr/Trp-in presence of Au 20 is observed with respect to the experimental FT-IR study of HHb upon interaction with GNP, suggesting participation of amide bonds in both cases. Furthermore, CD DFT calculations using optimized helical stretch of HHbin presence of Au-20 and experimental CD results of HHb in presence of GNP further indicate participation amide bonds and biocompatibility of GNP. Apparently, the theoretical and experimental interactions are going in good agreement with each other. Overall, the study of interactions of modified Tyr/Trp-as representative models of protein microenvironment and Au-20 nanocluster as prototype of GNP to develop models for exploring protein nanoparticle interactions has been highlighted. (C) 2022 Elsevier B.V. All rights reserved.</p>
10aamide bonds10aAu-20 nanocluster10aGold nanoparticle10aHuman hemoglobin10aModified Tyr/Trp1 aBanerjee, Nineesha, Sen1 aGhosh, Deborin1 aMitra, Ishani1 aPaul, Somnath1 aShow, Bibhutibhushan1 aGanguly, Tapan1 aChakraborty, Madhurima  uhttps://library.ncl.res.in/content/interactive-study-au-20-nanocluster-and-methyl-substituted-amide-linked-tyrosinetryptophan