Interfacing DNA with nanoparticles: surface science and its applications in biosensing
Q He, Q Wu, X Feng, Z Liao, W Peng, Y Liu… - International journal of …, 2020 - Elsevier
The knowledge on the mechanisms of DNA interfacing with nanoparticles holds great
potential for the design, assembly and usage of DNA in biological applications. A wave of …
potential for the design, assembly and usage of DNA in biological applications. A wave of …
The role of proton transfer on mutations
R Srivastava - Frontiers in Chemistry, 2019 - frontiersin.org
Hydrogen bonds play a critical role in nucleobase studies as they encode genes, map
protein structures, provide stability to the base pairs, and are involved in spontaneous and …
protein structures, provide stability to the base pairs, and are involved in spontaneous and …
Optical, structural and antibacterial properties of silver nanoparticles and DNA-templated silver nanoclusters
Silver nanoparticles (AgNPs) are increasingly considered for biomedical applications as
drug-delivery carriers, imaging probes and antibacterial agents. Silver nanoclusters …
drug-delivery carriers, imaging probes and antibacterial agents. Silver nanoclusters …
Application of optimization algorithms in clusters
R Srivastava - Frontiers in Chemistry, 2021 - frontiersin.org
The structural characterization of clusters or nanoparticles is essential to rationalize their
size and composition-dependent properties. As experiments alone could not provide …
size and composition-dependent properties. As experiments alone could not provide …
Directional affinity of a spherical Gold nanoparticle for the adsorption of DNA bases
H Farrokhpour, S Abedi, H Jouypazadeh - Colloids and Surfaces B …, 2019 - Elsevier
In this work, the adsorption activities of different facets of a spherical gold nanoparticle (Au
(111), Au (100) and Au (110)) for adenine (ADE) and cytosine (CYT) in two different …
(111), Au (100) and Au (110)) for adenine (ADE) and cytosine (CYT) in two different …
Mechanisms of the TA to CG transition studied by SMD simulations: Deamination vs tautomerisation
S Tolosa, JA Sansón, A Hidalgo - Journal of Molecular Liquids, 2020 - Elsevier
The TA to CG transition was obtained in gas and aqueous phases by applying steered
molecular dynamic (SMD) simulations. Two different pathways were considered to explain …
molecular dynamic (SMD) simulations. Two different pathways were considered to explain …
Metal organic frameworks (MOF's) for biosensing and bioimaging applications
Abstract Metal-organic-frameworks (MOFs) formed by combining between intermetallic ion
bonds and organic bridge ligands are a class of nanomaterials. Due to their privileges such …
bonds and organic bridge ligands are a class of nanomaterials. Due to their privileges such …
Theoretical studies on the electronic and optoelectronic properties of DNA/RNA hybrid-metal complexes
R Srivastava - Polyhedron, 2021 - Elsevier
The electronic and optoelectronic properties of DNA/RNA functionalized conductive metal
adatoms were studied using DFT and TDDFT methods. Four hybrid structures were selected …
adatoms were studied using DFT and TDDFT methods. Four hybrid structures were selected …
Theoretical studies on the electronic and optoelectronic properties of [A.2AP(w)/A*.2AP(WC)/C.2AP(w)/C*.2AP(WC)/CA(w)/C*.A(WC)]–Au8 mismatch nucleobase …
R Srivastava - Molecular Physics, 2018 - Taylor & Francis
The electronic and optoelectronic properties of [A. 2AP (w)/A*. 2AP (WC)/C. 2AP (w)/C*. 2AP
(WC)/CA (w)/C*. A (WC)]–Au8 metal-mismatch nucleobase complexes are investigated by …
(WC)/CA (w)/C*. A (WC)]–Au8 metal-mismatch nucleobase complexes are investigated by …
A procedure to understanding the CG to AT transversion. SMD simulations from guanine oxidation pathways assisted by one H2O2 molecule in the CG basis pair
S Tolosa, JA Sanson, A Hidalgo - Journal of Molecular Liquids, 2020 - Elsevier
The CG to AT transversion in the gas and aqueous phases was studied through steered
molecular dynamic (SMD) simulations. The mechanism considered involved the guanine …
molecular dynamic (SMD) simulations. The mechanism considered involved the guanine …