USNCTAM perspectives on mechanics in medicine

Bao, Gang; Bazilevs, Yuri; Chung, Jae Hyun; Decuzzi, Paolo; Espinosa, Horacio D.; Ferrari, Mauro; Gao, Huajian; Hossain, Shaolie S.; Hughes, Thomas J.R.; Kamm, Roger D.; Liu, Wing Kam; Marsden, Alison L.; Schrefler, Bernhard A.

doi:10.1098/rsif.2014.0301

Cited by 40 publications

(34 citation statements)

References 189 publications

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“…rsfs.royalsocietypublishing.org Interface Focus 6: 20150086 it is usually difficult to trace the behaviours of NPs step by step in this process and understand their behaviours. On the contrary, with the advancements in computational modelling, the behaviours of NPs within blood flow and their interactions with disease cells can be more accurately quantified [18,28,[30][31][32]. Therefore, the detailed physical mechanisms underpinning the NP-mediated drug delivery can be understood through these simulations, which will be useful in guiding the design of NPs with high efficacy.…”

Section: Introductionmentioning

confidence: 99%

“…The physiochemical properties of NPs, such as size, shape, surface functionality and stiffness (4S parameters), can affect their biological clearance [18,23,24,28,29]. Therefore, NPs can be modified in various ways to extend their circulation time [13,14].…”

Section: Introductionmentioning

confidence: 99%

“…The evolution of the NP carriers has followed advances in understanding of how 4S parameters affect their efficacy. As shown in figure 1, there are three generations of NPs developed for biomedical applications [18,23]. In the first generation of NPs, they are functionalized with basic surface chemistries (charges/ ligands) and are evaluated through their biocompatibility and toxicity.…”

Section: Introductionmentioning

confidence: 99%

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Cell and nanoparticle transport in tumour microvasculature: the role of size, shape and surface functionality of nanoparticles

et al. 2016

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Through nanomedicine, game-changing methods are emerging to deliver drug molecules directly to diseased areas. One of the most promising of these is the targeted delivery of drugs and imaging agents via drug carrier-based platforms. Such drug delivery systems can now be synthesized from a wide range of different materials, made in a number of different shapes, and coated with an array of different organic molecules, including ligands. If optimized, these systems can enhance the efficacy and specificity of delivery compared with those of non-targeted systems. Emerging integrated multiscale experiments, models and simulations have opened the door for endless medical applications. Current bottlenecks in design of the drug-carrying particles are the lack of knowledge about the dispersion of these particles in the microvasculature and of their subsequent internalization by diseased cells (Bao et al . 2014 J. R. Soc. Interface 11 , 20140301 ( doi:10.1098/rsif.2014.0301 )). We describe multiscale modelling techniques that study how drug carriers disperse within the microvasculature. The immersed molecular finite-element method is adopted to simulate whole blood including blood plasma, red blood cells and nanoparticles. With a novel dissipative particle dynamics method, the beginning stages of receptor-driven endocytosis of nanoparticles can be understood in detail. Using this multiscale modelling method, we elucidate how the size, shape and surface functionality of nanoparticles will affect their dispersion in the microvasculature and subsequent internalization by targeted cells.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Cell and nanoparticle transport in tumour microvasculature: the role of size, shape and surface functionality of nanoparticles

et al. 2016

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“…Following this approach, the authors have solved several structural, fluid and solid mechanics problems within the biomedical field and others [25 -27]. The methodology has been shown to be suitable for cardiovascular applications because of its precise and efficient geometric modelling, capability to appropriately capture both laminar and turbulent flow regimes, and accurate representation of stresses [28].…”

Section: Introductionmentioning

confidence: 99%

Magnetic resonance imaging-based computational modelling of blood flow and nanomedicine deposition in patients with peripheral arterial disease

Hossain

Zhang

et al. 2015

J. R. Soc. Interface.

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Peripheral arterial disease (PAD) is generally attributed to the progressive vascular accumulation of lipoproteins and circulating monocytes in the vessel walls leading to the formation of atherosclerotic plaques. This is known to be regulated by the local vascular geometry, haemodynamics and biophysical conditions. Here, an isogeometric analysis framework is proposed to analyse the blood flow and vascular deposition of circulating nanoparticles (NPs) into the superficial femoral artery (SFA) of a PAD patient. The local geometry of the blood vessel and the haemodynamic conditions are derived from magnetic resonance imaging (MRI), performed at baseline and at 24 months post intervention. A dramatic improvement in blood flow dynamics is observed post intervention. A 500% increase in peak flow rate is measured in vivo as a consequence of luminal enlargement. Furthermore, blood flow simulations reveal a 32% drop in the mean oscillatory shear index, indicating reduced disturbed flow post intervention. The same patient information (vascular geometry and blood flow) is used to predict in silico in a simulation of the vascular deposition of systemically injected nanomedicines. NPs, targeted to inflammatory vascular molecules including VCAM-1, E-selectin and ICAM-1, are predicted to preferentially accumulate near the stenosis in the baseline configuration, with VCAM-1 providing the highest accumulation (approx. 1.33 and 1.50 times higher concentration than that of ICAM-1 and E-selectin, respectively). Such selective deposition of NPs within the stenosis could be effectively used for the detection and treatment of plaques forming in the SFA. The presented MRI-based computational protocol can be used to analyse data from clinical trials to explore possible correlations between haemodynamics and disease progression in PAD patients, and potentially predict disease occurrence as well as the outcome of an intervention.

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“…The combination of molecular dynamics, quantum mechanics, and computational Nano mechanics has greatly increased researchers' ability to analyze nanoscale systems in a way that uses less resources and time. Perhaps the most challenging aspect of modeling cellular function is the need to operate on multiple temporal and spatial scales [1]. Many of modeling schemes that account for multi-scale space are built on multi-scale homogenization theory.…”

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confidence: 99%

Biomechanics: A Frontier Microbial Biotechnology

Jackson¹,

McCullough²

2015

J Microb Biochem Technol

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While cellular system mechanics is an emerging area in need of additional study. Preliminary research suggests that cells grow, respond to and provide mechanical stimuli. This discovery of the impact of mechanics on cellular function has led to a better understanding of human cellular physiology, including phagocytosis, the autoimmune system, and even cancer cell proliferation. Each of these systems relies on mechanical stimuli from contact with other cells or within the cell itself. The capabilities of computational modeling have increased exponentially in the past decade thanks to improved computational resources. The combination of molecular dynamics, quantum mechanics, and computational Nano mechanics has greatly increased researchers' ability to analyze nanoscale systems in a way that uses less resources and time. Perhaps the most challenging aspect of modeling cellular function is the need to operate on multiple temporal and spatial scales [1]. Many of modeling schemes that account for multi-scale space are built on multi-scale homogenization theory. In addition to the aforementioned techniques, immersed molecular electrokinetic finite element uses multi-scale frameworks. Such abilities are able to accurately model RNA binding at a Nano level [2]. This combination is especially powerful as it draws on the expertise of material mechanics to solve problems of material properties within the cell and the cellular membrane. Extensions of this form of finite element analysis have included tight binding, to address crack propagation on a cellular level within bone and could address failure criteria in tissue [3,4]. Other cellular modeling examples include the study of red blood cell aggregation [4] as well as single and multi-phase tumors. Such complicated processes associated with tumor cells used thermodynamically consistent mixture models based on Cahn-Hilliard theory [5,6]. Advanced computational models can be developed by observing in vitro behaviors of cells. The beauty of using cell culture is that the researcher can control the environment, changing factors such as temperature, initial amount of cells, pH, growth medium, etc. These factors and behaviors can then be developed into a computational model such as the explanatory models described by Smallwood et al. [7]. Unfortunately many of these computational methods have not been fully applied to microbial behavior mechanisms, and validation of these models is often based upon the agent-based model of cellular interaction [7]; wherein each cell, or agent, is independently governed by a set of rules that account for each behavior in response to real situations [7].

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USNCTAM perspectives on mechanics in medicine

Cited by 40 publications

References 189 publications

Cell and nanoparticle transport in tumour microvasculature: the role of size, shape and surface functionality of nanoparticles

Cell and nanoparticle transport in tumour microvasculature: the role of size, shape and surface functionality of nanoparticles

Magnetic resonance imaging-based computational modelling of blood flow and nanomedicine deposition in patients with peripheral arterial disease

Biomechanics: A Frontier Microbial Biotechnology

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