Studying the mechanism of tissue optical clearing using the method of molecular dynamics

Berezin, K. V.; Dvoretskiy, Konstantin N.; Chernavina, M. L.; Нечаев, В. В.; Лихтер, А. М.; Шагаутдинова, И. Т.; Stepanovich, E. Yu.; Гречухина, О. Н.; Tuchin, Valery V.

doi:10.1117/12.2267979

Cited by 5 publications

(5 citation statements)

References 19 publications

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“…This section presents a short summary of the recent results on molecular modeling of the interaction of some low molecular OCAs with collagen and finding the correlations between the interaction parameters and EOC. 250,251 Following Ref. 249, to characterize EOC, the reduced scattering coefficient ratio (RSR) defined as the ratio of reduced scattering coefficients before and after OCA application to dermal side of skin during 45 min was used.…”

Section: Molecular Modeling Of Immersion Optical Clearing Of Biologicmentioning

confidence: 99%

Measurement of tissue optical properties in the context of tissue optical clearing

et al. 2018

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Nowadays, dynamically developing optical (photonic) technologies play an ever-increasing role in medicine. Their adequate and effective implementation in diagnostics, surgery, and therapy needs reliable data on optical properties of human tissues, including skin. This paper presents an overview of recent results on the measurements and control of tissue optical properties. The issues reported comprise a brief review of optical properties of biological tissues and efficacy of optical clearing (OC) method in application to monitoring of diabetic complications and visualization of blood vessels and microcirculation using a number of optical imaging technologies, including spectroscopic, optical coherence tomography, and polarization- and speckle-based ones. Molecular modeling of immersion OC of skin and specific technique of OC of adipose tissue by its heating and photodynamic treatment are also discussed.

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Section: Molecular Modeling Of Immersion Optical Clearing Of Biologicmentioning

confidence: 99%

Measurement of tissue optical properties in the context of tissue optical clearing

et al. 2018

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“…В качестве молекулярной модели коллагена, как и в предыдущих работах [21][22][23][24][25], был использован миметический пептид коллагена (GPH) 3 [30], составляющего основу большей части регулярных доменов коллагена человека. Такие относительно небольшие синтетические пептиды часто используются для молекулярного моделирования коллагенов.…”

Section: методика и результаты молекулярного моделированияunclassified

“…В работах [23][24][25] методами классической молекулярной динамики, молекулярного докинга и квантовой химии (PM6 и DFT/B3LYP) проведены исследования взаимодействия шести просветляющих биологические ткани иммерсионных агентов (1,2 и 1,3-пропандиол, этиленгликоль, глицерол, ксилитол и сорбитол) с миметическими пептидом коллагена (GPH) 3 . Установлены корреляции между потенциалом оптического просветления и такими параметрами межмолекулярных взаимодействий, как время нахождения агентов в водородосвязанном состоянии, относительная вероятность образования двойных водородных связей и энергия образования комплексов.…”

Section: Introductionunclassified

Оптическое просветление кожи человека in vivo рядом моносахаридов

Berezin¹,

Dvoretskiĭ²,

Chernavina³

et al. 2019

Журнал Технической Физики

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We present the results of in vivo optical immersion clearing of human skin by aqueous solutions of some immersion agents (ribose, glucose, and fructose monosaccharides and glycerol), obtained using optical coherence tomography (OCT). To assess the efficiency of optical clearing, we determined the values of the rate of change of the light scattering coefficient, obtained using the averaged A-scan of the OCT signal in the derma section at a depth of 350–700 μm. A good correlation was observed between the rate of change of the light scattering coefficient and the potential of the optical clearing. Using complex molecular simulation of the interaction of a number of immersion clearing agents with collagen mimetic peptide (GPH)_3 using classical molecular dynamics and quantum chemistry, we found correlations between the efficiency of optical clearing and the energy of intermolecular interaction of cleaning agents with a fragment of collagen peptide.

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“…Since its rediscovery about 30 years ago [1], the research related to the Optical immersion Clearing (OC) technique has produced a large number of publications [2], which continues to grow significantly. Some of those studies were made to evaluate, discriminate and characterize the mechanisms of OC [2][3][4][5][6][7][8], while others evaluated the diffusion properties of the optical clearing agents (OCAs) in tissues [9][10][11][12][13][14][15][16], or described such diffusion as a molecular-based model [17][18].…”

Section: Introduction and Theoretical Backgroundmentioning

confidence: 99%

UV-NIR efficiency of the refractive index matching mechanism on colorectal muscle during treatment with different glycerol osmolarities

Gomes

Tuchin

Oliveira

2020

J-BPE

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The evaluation of the optical clearing mechanisms in tissues provides information about the efficiency of the clearing treatment. One of such mechanisms is the refractive index matching, which is created by the partial replacement of tissue water by an optical clearing agent with higher refractive index, better matched to the index of tissue scatterers. With the objective of evaluating the refractive index matching mechanism for a wide spectral range and comparing its magnitude between treatments with different clearing agent osmolarities, thickness and collimated transmittance measurements were obtained from human colorectal muscle samples under treatment with 20%-, 40% and 60%-glycerol. Such measurements were used in a calculation model to obtain the refractive index kinetics for the interstitial fluid and for the whole tissue. The calculation results show that the refractive index matching has a stronger effect in the ultraviolet and that such matching is more effective for higher agent concentrations in the treating solutions.

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Studying the mechanism of tissue optical clearing using the method of molecular dynamics

Cited by 5 publications

References 19 publications

Measurement of tissue optical properties in the context of tissue optical clearing

Measurement of tissue optical properties in the context of tissue optical clearing

Оптическое просветление кожи человека in vivo рядом моносахаридов

UV-NIR efficiency of the refractive index matching mechanism on colorectal muscle during treatment with different glycerol osmolarities

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