Advances in Molecular Simulation

Molecular simulations are commonly used in physics, chemistry, biology, material science, engineering, and even medicine. This book provides a wide range of molecular simulation methods and their applications in various fields. It reflects the power of molecular simulation as an effective research tool. We hope that the presented results can provide an impetus for further fruitful studies

DICOM for EIT

With EIT starting to be used in routine clinical practice [1], it important that the clinically relevant information is portable between hospital data management systems. DICOM formats are widely used clinically and cover many imaging modalities, though not specifically EIT. We describe how existing DICOM specifications, can be repurposed as an interim solution, and basis from which a consensus EIT DICOM ‘Supplement’ (an extension to the standard) can be writte

Estimation of thorax shape for forward modelling in lungs EIT

The thorax models for pre-term babies are developed based on the CT scans from new-borns and their effect on image reconstruction is evaluated in comparison with other available models

Rapid generation of subject-specific thorax forward models

For real-time monitoring of lung function using accurate patient geometry, shape information needs to be acquired and a forward model generated rapidly. This paper shows that warping a cylindrical model to an acquired shape results in meshes of acceptable mesh quality, in terms of stretch and aspect ratio

Nanoparticle electrical impedance tomography

We have developed a new approach to imaging with electrical impedance tomography (EIT) using gold nanoparticles (AuNPs) to enhance impedance changes at targeted tissue sites. This is achieved using radio frequency (RF) to heat nanoparticles while applying EIT imaging. The initial results using 5-nm citrate coated AuNPs show that heating can enhance the impedance in a solution containing AuNPs due to the application of an RF field at 2.60 GHz

Torso shape detection to improve lung monitoring

Two methodologies are proposed to detect the patient-specific boundary of the chest, aiming to produce a more accurate forward model for EIT analysis. Thus, a passive resistive and an inertial prototypes were prepared to characterize and reconstruct the shape of multiple phantoms. Preliminary results show how the passive device generates a minimum scatter between the reconstructed image and the actual shap

Computational methods and software for the design of inertial microfluidic flow sculpting devices

The ability to sculpt inertially flowing fluid via bluff body obstacles has enormous promise for applications in bioengineering, chemistry, and manufacturing within microfluidic devices. However, the computational difficulty inherent to full scale 3-dimensional fluid flow simulations makes designing and optimizing such systems tedious, costly, and generally tasked to computational experts with access to high performance resources. The goal of this work is to construct efficient models for the design of inertial microfluidic flow sculpting devices, and implement these models in freely available, user-friendly software for the broader microfluidics community. Two software packages were developed to accomplish this: uFlow and FlowSculpt . uFlow solves the forward problem in flow sculpting, that of predicting the net deformation from an arbitrary sequence of obstacles (pillars), and includes estimations of transverse mass diffusion and particles formed by optical lithography. FlowSculpt solves the more difficult inverse problem in flow sculpting, which is to design a flow sculpting device which produces a target flow shape. Each piece of software uses efficient, experimentally validated forward models developed within this work, which are applied to deep learning techniques to explore other routes to solving the inverse problem. The models are also highly modular, capable of incorporating new microfluidic components and flow physics to the design process. It is anticipated that the microfluidics community will integrate the tools developed here into their own research, and bring new designs, components, and applications to the inertial flow sculpting platform