Exploring the validity of the Stokes–Einstein relation in supercooled water using nanomolecular probes

Berkowicz, Sharon; Perakis, Fivos

doi:10.1039/d1cp02866a

Cited by 13 publications

(7 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Breakdown of the SER was extensively studied in supercooled water. 92–112 Many of the studies indirectly verified the SER by examining the coupling between the diffusion coefficient D and the α -relaxation time τ α . 93,94,105,107–109,113 In recent years there has been increasing interest in directly verifying the SER by measuring the diffusion and viscosity of water over a wide temperature range, including supercooled regimes.…”

Section: Introductionmentioning

confidence: 99%

Non-monotonic composition dependence of the breakdown of Stokes–Einstein relation for water in aqueous solutions of ethanol and 1-propanol: explanation using translational jump-diffusion approach

Dueby

Dubey

Indra

et al. 2022

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

Non-monotonic composition dependence of the breakdown of Stokes–Einstein relation for water in aqueous solutions of ethanol and 1-propanol: explanation using translational jump-diffusion approach

Dueby

Dubey

Indra

et al. 2022

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…The rate Γ fd of the free diffusion process is given in Equation (). This rate can also be calculated from the energy barrier that a particle is expected to overcome when displaced from one grid cell to the neighboring one and can be factorized as: 50,58,92,93

{normalΓ}_{italicfd} = ν \exp (- \frac{E_{a}}{k_{B} T}) .

Here E a is the activation energy (energy barrier) associated with the particle‐surface interaction, ν is the attempt escape rate of a particle from its equilibrium position, T is the temperature of the system, and k B is the Boltzmann constant.…”

Section: Resultsmentioning

confidence: 99%

“…The rate Γ fd of the free diffusion process is given in Equation (3). This rate can also be calculated from the energy barrier that a particle is expected to overcome when displaced from one grid cell to the neighboring one and can be factorized as: 50,58,92,93…”

Section: Fractal Self-assembly On a Surfacementioning

confidence: 99%

Multiscale modeling of stochastic dynamics processes with MBN Explorer

et al. 2022

View full text Add to dashboard Cite

Stochastic dynamics describes processes in complex systems having the probabilistic nature. They can involve very different dynamical systems and occur on very different temporal and spatial scale. This paper discusses the concept of stochastic dynamics and its implementation in the popular program MBN EXPLORER. Stochastic dynamics in MBN EXPLORER relies on the Monte Carlo approach and permits simulations of physical, chemical, and biological processes. The paper presents the basic theoretical concepts underlying stochastic dynamics implementation and provides several examples highlighting its applicability to different systems, such as diffusing proteins seeking an anchor point on a cell membrane, deposition of nanoparticles on a surface leading to structures with fractal morphologies, and oscillations of compounds in an autocatalytic reaction. The chosen examples illustrate the diversity of applications that can be modeled by means of stochastic dynamics with MBN EXPLORER.

show abstract

“…The DLS analysis is based on the Brownian motion of particles. The Stokes-Einstein equation was used to calculate the particle size (D = kT/6rhR) [62]. Scanning electron microscopy (SEM) was used to investigate the size, shape, texture, and morphology of nanoparticles.…”

Section: Characterizationmentioning

confidence: 99%

Synthesis of Copper Oxide-Based Nanoformulations of Etoricoxib and Montelukast and Their Evaluation through Analgesic, Anti-Inflammatory, Anti-Pyretic, and Acute Toxicity Activities

et al. 2022

View full text Add to dashboard Cite

Copper oxide nanoparticles (CuO NPs) were synthesized through the coprecipitation method and used as nanocarriers for etoricoxib (selective COX-2 inhibitor drug) and montelukast (leukotriene product inhibitor drug) in combination therapy. The CuO NPs, free drugs, and nanoformulations were investigated through UV/Vis spectroscopy, FTIR spectroscopy, XRD, SEM, and DLS. SEM imaging showed agglomerated nanorods of CuO NPs of about 87 nm size. The CE1, CE2, and CE6 nanoformulations were investigated through DLS, and their particle sizes were 271, 258, and 254 nm, respectively. The nanoformulations were evaluated through in vitro anti-inflammatory activity, in vivo anti-inflammatory activity, in vivo analgesic activity, in vivo anti-pyretic activity, and in vivo acute toxicity activity. In vivo activities were performed on albino mice. BSA denaturation was highly inhibited by CE1, CE2, and CE6 as compared to other nanoformulations in the in vitro anti-inflammatory activity. The in vivo bioactivities showed that low doses (5 mg/kg) of nanoformulations were more potent than high doses (10 and 20 mg/kg) of free drugs in the inhibition of pain, fever, and inflammation. Lastly, CE2 was more potent than that of other nanoformulations.

show abstract

Exploring the validity of the Stokes–Einstein relation in supercooled water using nanomolecular probes

Abstract: The breakdown of Stokes-Einstein relation in liquid water is one of the many anomalies that take place upon cooling and indicates the decoupling of diffusion and viscosity. It is hypothesized...

Cited by 13 publications

References 55 publications

Non-monotonic composition dependence of the breakdown of Stokes–Einstein relation for water in aqueous solutions of ethanol and 1-propanol: explanation using translational jump-diffusion approach

Non-monotonic composition dependence of the breakdown of Stokes–Einstein relation for water in aqueous solutions of ethanol and 1-propanol: explanation using translational jump-diffusion approach

Multiscale modeling of stochastic dynamics processes with MBN Explorer

Synthesis of Copper Oxide-Based Nanoformulations of Etoricoxib and Montelukast and Their Evaluation through Analgesic, Anti-Inflammatory, Anti-Pyretic, and Acute Toxicity Activities

Contact Info

Product

Resources

About