How does microwave irradiation affect aqueous solutions of polar solutes?

Mohorič, Tomaž; Bren, Urban

doi:10.1016/j.molliq.2018.06.051

Cited by 15 publications

(13 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Applied external electromagnetic field reorients the dipole moments of molecules. Under the microwave radiation, water molecules tend to align their dipole moments with the alternating external electric field 41 (Fig. 2 a red arrow).…”

Section: Theoretical Backgroundmentioning

confidence: 99%

“…More recently, computer simulation tools have contributed significantly to the molecular-level understanding of microwave interaction with liquids 40 . Using molecular dynamics (MD) simulation interfaces, researchers investigated the behaviors of polar aqueous solutions upon microwave heating 41 , 42 , dissociation processes 43 , dynamical couplings between ions and solvent molecules, and the dependence of solvent dynamical properties on ion concentrations 44 .…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Visualization of microwave near-field distribution in sodium chloride and glucose aqueous solutions by a thermo-elastic optical indicator microscope

Baghdasaryan

Babajanyan

Odabashyan

et al. 2021

Sci Rep

View full text Add to dashboard Cite

In this study, a new optical method is presented to determine the concentrations of NaCl and glucose aqueous solutions by using a thermo-elastic optical indicator microscope. By measuring the microwave near-field distribution intensity, concentration changes of NaCl and glucose aqueous solutions were detected in the 0–100 mg/ml range, when exposed to microwave irradiation at 12 GHz frequency. Microwave near-field distribution intensity decreased as the NaCl or glucose concentration increased due to the changes of the absorption properties of aqueous solution. This method provides a novel approach for monitoring NaCl and glucose in biological liquids by using a CCD sensor capable of visualizing NaCl and glucose concentrations without scanning.

show abstract

Section: Theoretical Backgroundmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Visualization of microwave near-field distribution in sodium chloride and glucose aqueous solutions by a thermo-elastic optical indicator microscope

Baghdasaryan

Babajanyan

Odabashyan

et al. 2021

Sci Rep

View full text Add to dashboard Cite

show abstract

“…Mohorič et al further studied the effect of MWs on the solvation properties of water. Using several popular water models, they performed molecular dynamics (MD) simulations of solutions of various cations, anions, polar molecules, and hydrophobic particles. − Their results showed that upon MW irradiation, short hydrophobic chains can indeed collapse to more compact globular structures. Auerbach and co-workers − provided convincing experimental evidence that in microwave-irradiated systems the rotational temperature may substantially exceed the translational one.…”

Section: Introductionmentioning

confidence: 99%

Could Microwave Irradiation Cause Misfolding of Peptides?

Gladovic

Oostenbrink

Bren

2020

J. Chem. Theory Comput.

Self Cite

View full text Add to dashboard Cite

Microwaves have been experimentally shown to affect the folding dynamics of peptides and proteins. Using molecular dynamics, we performed all-atom simulations of a model β-peptide in aqueous solution where individual degrees of freedom of solvent molecules were decoupled to allow for investigation at non-equilibrium microwave-irradiated conditions. An elevated rotational temperature of the water medium was found to significantly affect the conformation of the peptide due to the weakened hydrogen-bonding interactions with the surrounding solvent molecules. Cluster analysis revealed that microwave irradiation can indeed act as a promoter in the formation of new misfolded peptide structures of the hairpin type, which are generally associated with the onset of several neurodegenerative disorders such as Alzheimer's, Parkinson's, Huntington's, and Creutzfeldt−Jakob diseases as well as certain cancer types such as amyloidosis.

show abstract

“…In recent years, a few molecular dynamics simulations have been done to understand the effects of microwave irradiations on relatively simple systems, such as pure water or aqueous solutions. [22][23][24][25][26] Most of these works did not involve the chemical reaction in the process. So far, there are indeed a few theoretical research focused on microwave chemistry, however, most of them are from a macroscopic scale, [27][28][29] which is difficult to obtain the details of the process.…”

Section: Introductionmentioning

confidence: 99%

Temperature evolution, atomistic hot‐spot effects and thermal runaway during microwave heating of polyacrylonitrile: A ReaxFF molecular dynamics simulation

et al. 2021

View full text Add to dashboard Cite

Microwave is of promising applications in various chemical and material processes, however, the interactions between the microwave and the molecules from atomistic scales are lack of understanding. ReaxFF reactive molecular dynamics simulations were carried out to get insights into the interactions between the microwave and polyacrylonitrile (PAN) during microwave heating. It was found that the temperature evolution of the system was dependent on the electric field strength and frequency of the microwave. The alternate change of the electric field of the microwave leads to the alternate fluctuation of the temperature. We surprisingly predicted the atomistic hot-spot effect of microwave heating of PAN that the cyano groups were selectively heated. With an electric field intensity of 0.6 V Å -1 and a frequency of 60 GHz, the temperature of the hot-spot atoms was 300 and 500 K higher than the carbon and hydrogen atoms in the PAN backbone, respectively. We also analyzed the thermal runaway behavior of the system during microwave irradiations and found that it was attributed to the decomposition of PAN into smaller polar molecules. This work suggests that it is possible to selectively and effectively activate the cyano groups of PAN to improve their reactivity.

show abstract

How does microwave irradiation affect aqueous solutions of polar solutes?

Cited by 15 publications

References 45 publications

Visualization of microwave near-field distribution in sodium chloride and glucose aqueous solutions by a thermo-elastic optical indicator microscope

Visualization of microwave near-field distribution in sodium chloride and glucose aqueous solutions by a thermo-elastic optical indicator microscope

Could Microwave Irradiation Cause Misfolding of Peptides?

Temperature evolution, atomistic hot‐spot effects and thermal runaway during microwave heating of polyacrylonitrile: A ReaxFF molecular dynamics simulation

Contact Info

Product

Resources

About