فهرست مقالات gene delivery

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  1 - Adenine molecule interacting with golden nanocluster: A dispersion corrected DFT study
  Ghazaleh Hashemkhani Malak Hekmati Masoud Darvish Ganji
  10.22034/jna.2019.1871649.1151
  The interaction between nanoparticles and biomolecules such as protein and DNA is one of the major instructions of nanobiotechnology research. In this study, we have explored the interaction of adenine nucleic base with a representative golden cluster (Au13) by using di چکیده کامل

  The interaction between nanoparticles and biomolecules such as protein and DNA is one of the major instructions of nanobiotechnology research. In this study, we have explored the interaction of adenine nucleic base with a representative golden cluster (Au13) by using dispersion corrected density functional theory (DFT-D3) within GGA-PBE model of theory. Various active sites as and ways of approach as well as several affecting parameters on the interaction nature of interacting molecules such as adsorption energy, binding distance, solvent effect and, electronics structure were investigated. Our first-principles results indicated that adenine forms a stable complex with the golden cluster with interaction energy of –42.84 kcal/mol and binding distance of 2.139 Å. Charge transfer analysis with Hirshfeld approach demonstrated about 0.52 e was transferred from adenine to golden cluster skeleton. It was found from the obtained interaction parameters that there is strong interaction (chemisorption) between adenine and golden cluster. The type and strength of interaction have been also confirmed by hybrid functional B3LYP level of theory. This finding is very promising for potential medicinal and pharmaceutical applications of golden clusters. پرونده مقاله
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  2 - Adenine molecule interacting with golden nanocluster: A dispersion corrected DFT study
  Ghazaleh Hashemkhani Malak Hekmati Masoud Darvish Ganji
  10.22034/jna.2020.675052
  The interaction between nanoparticles and biomolecules such as protein andDNA is one of the major instructions of nanobiotechnology research. In this study,we have explored the interaction of adenine nucleic base with a representativegolden cluster (Au13) by using dispe چکیده کامل

  The interaction between nanoparticles and biomolecules such as protein andDNA is one of the major instructions of nanobiotechnology research. In this study,we have explored the interaction of adenine nucleic base with a representativegolden cluster (Au13) by using dispersion corrected density functional theory(DFT-D3) within GGA-PBE model of theory. Various active sites as and ways ofthe approach as well as several affecting parameters on the interaction nature ofinteracting molecules such as adsorption energy, binding distance, solvent effectand, electronics structure were investigated. Our first-principles results indicatedthat adenine forms a stable complex with the golden cluster with interactionenergy of –42.84 kcal/mol and binding distance of 2.139 Å. Charge transferanalysis with Hirshfeld approach demonstrated about 0.52 e was transferred fromadenine to golden cluster skeleton. It was found from the obtained interactionparameters that there is strong interaction (chemisorption) between adenine andgolden cluster. The type and strength of interaction have been also confirmed byhybrid functional B3LYP level of theory. This finding is very promising for potentialmedicinal and pharmaceutical applications of golden clusters. پرونده مقاله