Understanding and designing the gold–bio interface: Insights from simulations
Gold nanoparticles (AuNPs) are an integral part of many exciting and novel biomedical
applications, sparking the urgent need for a thorough understanding of the physicochemical …
applications, sparking the urgent need for a thorough understanding of the physicochemical …
Adsorption behavior and mechanism for Pb (II) and Cd (II) by silica anchored salicylaldehyde modified polyamidoamine dendrimers
K Wu, Y Wu, B Wang, Y Liu, W Xu, A Wang… - Journal of the Taiwan …, 2022 - Elsevier
Background Water pollution caused by Pb (II) and Cd (II) poses severe threat to human
beings. Construction of adsorbent for efficient adsorption of these ions is of vital importance …
beings. Construction of adsorbent for efficient adsorption of these ions is of vital importance …
Estimating strengths of individual hydrogen bonds in RNA base pairs: toward a consensus between different computational approaches
Noncoding RNA molecules are composed of a large variety of noncanonical base pairs that
shape up their functionally competent folded structures. Each base pair is composed of at …
shape up their functionally competent folded structures. Each base pair is composed of at …
Structure, interaction, and dynamics of Au/Pd bimetallic nanoalloys dispersed in aqueous ethylpyrrolidone, a monomeric moiety of polyvinylpyrrolidone
Bimetallic nanoparticles (NPs) have been shown to exhibit certain advantages over pure
NPs in catalysis due to a synergistic effect. It is common to disperse NPs in a polymer matrix …
NPs in catalysis due to a synergistic effect. It is common to disperse NPs in a polymer matrix …
Dielectric spectroscopic and molecular dynamic study of aqueous solutions of paracetamol
Dielectric relaxation spectroscopy was used to study the structural properties of Paracetamol
(PCM) and its aqueous solutions in varying amount of concentrations. The dielectric and …
(PCM) and its aqueous solutions in varying amount of concentrations. The dielectric and …
[HTML][HTML] Theoretical study on the hydrogen bonding interactions in paracetamol-water complexes
M Xu, B Zhang, Q Wang, Y Yuan, L Sun… - Journal of the Chilean …, 2018 - SciELO Chile
The paracetamol-water (PA–H2O) complexes formed by hydrogen bonding interactions
were investigated at the MP2/6-311++ G (d, p) level. Six PA–H2O complexes possessing …
were investigated at the MP2/6-311++ G (d, p) level. Six PA–H2O complexes possessing …
How does mg2+ modulate the rna folding mechanism: A case study of the g: Cw: W trans basepair
Abstract Reverse Watson-Crick G: C basepairs (G: CW: W Trans) occur frequently in different
functional RNAs. This is one of the few basepairs whose gas-phase-optimized isolated …
functional RNAs. This is one of the few basepairs whose gas-phase-optimized isolated …
Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of CO
S Rai, M Ehara, UD Priyakumar - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
DNA is considered as a programmable building block for the assembly of nanomaterials that
play a significant role in modern day nanotechnology and catalysis. In this work, density …
play a significant role in modern day nanotechnology and catalysis. In this work, density …
Broadband dielectric relaxation spectroscopy and molecular dynamics simulation study of paracetamol-propylene glycol solutions
The complex permittivity ε*(ω)= ε′(ω)-ε “(ω) was studied for a series of paracetamol (PCM)–
propylene glycol (PG) solutions over the broadband frequency range of 20 Hz to 20 GHz at …
propylene glycol (PG) solutions over the broadband frequency range of 20 Hz to 20 GHz at …
Dopant induced modulation in the structure and electronic properties of Au 10 cluster
The dopant driven strong modulation of the physiochemical properties of metal clusters has
attracted a wide research interest due to its potential application in sensing, catalysis and …
attracted a wide research interest due to its potential application in sensing, catalysis and …