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Computation of drag and diffusion coefficient for coronavirus: I.

ABSTRACT: Monte Carlo simulations and integral equation techniques allow for the flexible and efficient computation of drag and diffusion coefficients for virus mimetic particles. We highlight a Monte Carlo method that is useful for computing the drag on biomimetic particles in the free-molecular regime and a numerical technique to solve a boundary integral equation (related to the Stokes equation) in the hydrodynamic limit. The free-molecular and the continuum results allow the construction of an approximation for the drag applicable over the full range of Knudsen numbers. Finally, we outline how this work will be useful in modeling viral transport in air and fluids and in viral morphology measurements and in viral separations via electrospray-differential mobility analyzers (ES-DMA).

SUBMITTER: White N

PROVIDER: S-EPMC8103743 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature

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Computation of drag and diffusion coefficient for coronavirus: I.

White Nathan N Seelig John-David JD Loyalka Sudarshan K SK

Journal of aerosol science 20210507

Monte Carlo simulations and integral equation techniques allow for the flexible and efficient computation of drag and diffusion coefficients for virus mimetic particles. We highlight a Monte Carlo method that is useful for computing the drag on biomimetic particles in the free-molecular regime and a numerical technique to solve a boundary integral equation (related to the Stokes equation) in the hydrodynamic limit. The free-molecular and the continuum results allow the construction of an approxi ...[more]

PMID: 33976456

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Project description:PurposeTo characterize the diffusion coefficient of human blood for accurate results in intravoxel incoherent motion imaging.MethodsDiffusion-weighted MRI of blood samples from 10 healthy volunteers was acquired with a single-shot echo-planar-imaging sequence at body temperature. Effects of gradient profile (monopolar or flow-compensated), diffusion time (40-100 ms), and echo time (60-200 ms) were investigated.ResultsAlthough measured apparent diffusion coefficients of blood were larger for flow-compensated than for monopolar gradients, no dependence of the apparent diffusion coefficient on the diffusion time was found. Large differences between individual samples were observed, with results ranging from 1.26 to 1.66 µm2 /ms for flow-compensated and 0.94 to 1.52 µm2 /ms for monopolar gradients. Statistical analysis indicates correlations of the flow-compensated apparent diffusion coefficient with hematocrit (P = 0.007) and hemoglobin (P = 0.017), but not with mean corpuscular volume (P = 0.64). Results of Monte-Carlo simulations support the experimental observations.ConclusionsMeasured blood apparent diffusion coefficient values depend on hematocrit/hemoglobin concentration and applied gradient profile due to non-Gaussian diffusion. Because in vivo measurement is delicate, an estimation based on blood count results could be an alternative. For intravoxel incoherent motion modeling, the use of a blood self-diffusion constant Db = 1.54 ± 0.12 µm2 /ms for flow-compensated and Db = 1.30 ± 0.18 µm2 /ms for monopolar encoding is suggested. Magn Reson Med 79:2752-2758, 2018. © 2017 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

Project description:Background and Purpose- In this era of endovascular therapy (EVT) with early, complete recanalization and reperfusion, we have observed an even more rapid apparent diffusion coefficient (ADC) normalization within the acute ischemic lesion compared with the natural history or IV-tPA-treated patient. In this study, we aimed to evaluate the effect of revascularization on ADC evolution within the core lesion in the first 24 hours in acute ischemic stroke patients. Methods- This retrospective study included anterior circulation acute ischemic stroke patients treated with EVT with or without intravenous tPA (IVT) from 2015 to 2017 compared with a consecutive cohort of IVT-only patients treated before 2015. Diffusion-weighted imaging and ADC maps were used to quantify baseline core lesions. Median ADC value change and core reversal were determined at 24 hours. Diffusion-weighted imaging lesion growth was measured at 24 hours and 5 days. Good clinical outcome was defined as modified Rankin Scale score of 0 to 2 at 90 days. Results- Twenty-five patients (50%) received IVT while the other 25 patients received EVT (50%) with or without IVT. Between these patient groups, there were no differences in age, sex, baseline National Institutes of Health Stroke Scale, interhospital transfer, or IVT rates. Thirty-two patients (64%) revascularized with 69% receiving EVT. There was a significant increase in median ADC value of the core lesion at 24 hours in patients who revascularized compared with further ADC reduction in nonrevascularization patients. Revascularization patients had a significantly higher rate of good clinical outcome at 90 days, 63% versus 9% (P=0.003). Core reversal at 24 hours was significantly higher in revascularization patients, 69% versus 22% (P=0.002). Conclusions- ADC evolution in acute ischemic stroke patients with early, complete revascularization, now more commonly seen with EVT, is strikingly different from our historical understanding. The early ADC normalization we have observed in this setting may include a component of secondary injury and serve as a potential imaging biomarker for the development of future adjunctive therapies. Clinical Trial Registration- URL: https://www.clinicaltrials.gov. Unique identifier: NCT00009243.

Dataset Information

Computation of drag and diffusion coefficient for coronavirus: I.

Publications

Computation of drag and diffusion coefficient for coronavirus: I.

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