Hydrogen bonds and dynamics of liquid water and alcohols

Kholmanskiy, Alexander

doi:10.1016/j.molliq.2020.115237

Cited by 11 publications

(23 citation statements)

References 75 publications

(170 reference statements)

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“…In addition to water entering the hydration shells of ions and associated with biomolecules, a certain proportion of free water is also present in the blood plasma and in the intercellular fluid (Bagchi, 2013;Matveev, 2019). Anomalies of its physical properties in the range from ~25 °C to ~ 42 °C are determined by the dynamics of hydrogen bonds in clusters of various compositions (Kholmanskiy, 2020;2021;Bardik et al, 2020). These features of the thermodynamics of water and its hydrogen bonds with the proteins of the conductive channels of cell membranes can underlie the differentiation of the mechanisms of operation of cold, heat and pain receptors in the epidermis.…”

Section: Discussionmentioning

confidence: 99%

Thermal stimulation of pressure phosphenes

Kholmanskiy¹,

Konyukhova²,

Minakhin³

2021

Preprint

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Synesthesia of vision and somatosensory is based on physiology of interconnection of neurons in different nuclei of thalamus or areas of cerebral cortex. Work studied effect on the intensity of pressure phosphenes (PP) of various methods of heating eyes and hands, as well as manual influence on cervical spine. Along with subjective assessments of the PP intensity, EEG and ECG were used for chronometry of bioelectrical activity of brain and heart. From analysis of frequency and amplitude spectra of EEG, it was concluded that mechanism of PP generation is dominated by processes of redistribution and recombination of charges in retinal and LGB layers. Stimulation of PP by heating hands was associated with convergence of LGB neurons and neurons of thalamus nuclei, which are responsible for thermoreception and are adjacent to LGB. Enhancement of effect of PP stimulation by heating hands in water and in sauna was explained by resonant mechanism of heat transfer from heated water to water of physiological fluids of epidermis and water associated with proteins of ion channels of thermoreceptor membranes. It was suggested that breakdown of water clusters in physiological fluids of epidermis at temperature above 42 C promotes to transformation of thermoreceptors into pain receptors.

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Section: Discussionmentioning

confidence: 99%

Thermal stimulation of pressure phosphenes

Kholmanskiy¹,

Konyukhova²,

Minakhin³

2021

Preprint

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“…Such configuration exists in hexagonal ice (Ih) and after melting features the highest possible stability and minimum energy [4]. The temperature dependences (TDs) of the physical properties of liquid water at normal pressure and at T from 273 K to ~373 K have either extrema or deviate from Arrhenius at T < 300 K [3,[8][9][10]. To clarify the physical nature of these anomalies, in addition to mathematical approximations of TDs of the properties of water, computer simulation of the molecular structure and intermolecular interactions in water is widely used [1,2,[12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The total thermal effect and activation energy (EA) of these reactions can be greater than zero (exo process), less than zero (endo process) and zero [3,9,10]. In [3,10,13], it was suggested that the anomalies TDs of the physical properties of liquid water are due to correlated interactions of dipoles of fluctuating hydrogen bonds (HBs) and the mechanism of resonant absorption of thermal energy quanta by individual molecules or their correlated ensembles. Comparison of EA reactions limiting TDs of the self-diffusion coefficient (D, EA <0) and dynamic viscosity (η, EA> 0) and the dielectric relaxation time of water (EA> 0) showed that the molecular dynamics (MD) of water is based on synergism of consistent exo and endo reactions of HBs formation and destruction [8][9][10].…”

Section: Introductionmentioning

confidence: 99%

“…The EA values for dynamic characteristics are almost an order of magnitude higher than thermal energy (kT), and therefore its influence on the HBs dynamics begins to manifest itself mainly in the deviations of TDs from Arrhenius at T <300 K [9,10]. For bulk density, isobaric heat capacity, compressibility, speed of sound, stationary dielectric constant (εS), and water microstructure parameters, EA values are of the same order of magnitude or significantly less than kT [3,9,10].…”

Section: Introductionmentioning

confidence: 99%

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Synergism of dynamics of tetrahedral hydrogen bonds of liquid water

Kholmanskiy¹

2021

Physics of Fluids

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We used modified Arrhenius approximations to analyze the known temperature dependences (TDs) of water microstructure parameters and its dynamic characteristicsself-diffusion (D), viscosity (η), relaxation time. The analysis of activation energies showed a significant difference in the molecular dynamics (MD) of water in the ranges 273-298 K and 300-373 K. The features of MD in the first range were associated with the metastable ice-like phase of water, in which hexagonal clusters with tetrahedral hydrogen bonds (HBs) predominate. Based on the ratios of the signs and values of the activation energies of HBs fluctuations and the parameters of the microstructure, it was assumed that fluctuations of HBs dipoles play a key role in the mechanism of resonant activation by thermal energy of consistent reactions of deformation, rupture and formation of tetrahedral HBs in water clusters. The synergism of these reactions and the interaction of the charges of the vacant acceptor and donor tetrahedral orbitals of the oxygen atom trigger at ~298 K an explosive transition of the metastable ice-like phase of water into the argon-like phase.The synergetics of water dynamics above 298 K is adequately characterized by the product Dη, from which TDs follow the activation energies of reactions that determine the form of the Stokes-Einstein relation in the temperature ranges below and above the 298 K point.

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