Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations.
Being commonly found at crime scenes, fingerprints are crucial for human identification, attributable to their uniqueness, persistence and systematic classification of ridge patterns. In addition to latent fingerprints being invisible to the naked eye, the escalating trends of disposing forensic evi...
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my.utm.1063312024-06-29T06:45:23Z http://eprints.utm.my/106331/ Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. Tze Lin, Khor Mahat, Naji Arafat Azman, Aida Rasyidah Abdul Wahab, Roswanira Oyewusi, Habeebat Adekilekun Abdul Hamid, Azzmer Azzar QD Chemistry Being commonly found at crime scenes, fingerprints are crucial for human identification, attributable to their uniqueness, persistence and systematic classification of ridge patterns. In addition to latent fingerprints being invisible to the naked eye, the escalating trends of disposing forensic evidence bearing such prints in watery bodies would further complicate criminal investigations. Taking into account the toxicity of small particle reagent (SPR) commonly used in visualising latent fingerprints on wet and non-porous objects, a greener alternative using the nanobio-based reagent (NBR) has been suggested. However, NBR only applies to white and/or relatively light-coloured objects. Thus, conjugation of sodium fluorescein dye with NBR (f-NBR) may be beneficial for increasing the contrast of fingerprint on multi-colored objects. Hence, this study was aimed at investigating the possibility of such conjugation (i.e., f-NBR) as well as proposing suitable interactions between the f-NBR and lipid constituents of fingerprints (tetra-, hexa- and octadecanoic acids) via molecular docking and molecular dynamics simulations. The binding energies between CRL with its ligands were observed at −8.1, −5.0, −4.9 and −3.6 kcal/mole for sodium fluorescein, tetra-, hexa- and octadecanoic acids, respectively. Besides, the formations of hydrogen bonds observed in all complexes (ranged between 2.6 and 3.4 Å), further supported by the stabilized root mean square deviation (RMSDs) plots in MD simulations. In short, the conjugation of f-NBR was computationally feasible, and thereby merits further investigations in the laboratory. Communicated by Ramaswamy H. Sarma. Taylor and Francis Ltd. 2023 Article PeerReviewed Tze Lin, Khor and Mahat, Naji Arafat and Azman, Aida Rasyidah and Abdul Wahab, Roswanira and Oyewusi, Habeebat Adekilekun and Abdul Hamid, Azzmer Azzar (2023) Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. Journal of Biomolecular Structure and Dynamics, 41 (24). pp. 15045-15052. ISSN 0739-1102 http://dx.doi.org/10.1080/07391102.2023.2186709 DOI: 10.1080/07391102.2023.2186709 |
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QD Chemistry Tze Lin, Khor Mahat, Naji Arafat Azman, Aida Rasyidah Abdul Wahab, Roswanira Oyewusi, Habeebat Adekilekun Abdul Hamid, Azzmer Azzar Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
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Being commonly found at crime scenes, fingerprints are crucial for human identification, attributable to their uniqueness, persistence and systematic classification of ridge patterns. In addition to latent fingerprints being invisible to the naked eye, the escalating trends of disposing forensic evidence bearing such prints in watery bodies would further complicate criminal investigations. Taking into account the toxicity of small particle reagent (SPR) commonly used in visualising latent fingerprints on wet and non-porous objects, a greener alternative using the nanobio-based reagent (NBR) has been suggested. However, NBR only applies to white and/or relatively light-coloured objects. Thus, conjugation of sodium fluorescein dye with NBR (f-NBR) may be beneficial for increasing the contrast of fingerprint on multi-colored objects. Hence, this study was aimed at investigating the possibility of such conjugation (i.e., f-NBR) as well as proposing suitable interactions between the f-NBR and lipid constituents of fingerprints (tetra-, hexa- and octadecanoic acids) via molecular docking and molecular dynamics simulations. The binding energies between CRL with its ligands were observed at −8.1, −5.0, −4.9 and −3.6 kcal/mole for sodium fluorescein, tetra-, hexa- and octadecanoic acids, respectively. Besides, the formations of hydrogen bonds observed in all complexes (ranged between 2.6 and 3.4 Å), further supported by the stabilized root mean square deviation (RMSDs) plots in MD simulations. In short, the conjugation of f-NBR was computationally feasible, and thereby merits further investigations in the laboratory. Communicated by Ramaswamy H. Sarma. |
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Article |
author |
Tze Lin, Khor Mahat, Naji Arafat Azman, Aida Rasyidah Abdul Wahab, Roswanira Oyewusi, Habeebat Adekilekun Abdul Hamid, Azzmer Azzar |
author_facet |
Tze Lin, Khor Mahat, Naji Arafat Azman, Aida Rasyidah Abdul Wahab, Roswanira Oyewusi, Habeebat Adekilekun Abdul Hamid, Azzmer Azzar |
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Tze Lin, Khor |
title |
Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
title_short |
Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
title_full |
Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
title_fullStr |
Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
title_full_unstemmed |
Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
title_sort |
interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. |
publisher |
Taylor and Francis Ltd. |
publishDate |
2023 |
url |
http://eprints.utm.my/106331/ http://dx.doi.org/10.1080/07391102.2023.2186709 |
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1803334992985587712 |