1,044 results match your criteria: "School of Engineering and Physical Sciences[Affiliation]"

Fully angularly resolved 3D microrheology with optical tweezers.

Rheol Acta

February 2024

Division of Biomedical Engineering, James Watt School of Engineering, University of Glasgow, Glasgow, UK.

Microrheology with optical tweezers (MOT) is an all-optical technique that allows the user to investigate a materials' viscoelastic properties at microscopic scales, and is particularly useful for those materials that feature complex microstructures, such as biological samples. MOT is increasingly being employed alongside 3D imaging systems and particle tracking methods to generate maps showing not only how properties may vary between different points in a sample but also how at a single point the viscoelastic properties may vary with direction. However, due to the diffraction limited shape of focussed beams, optical traps are inherently anisotropic in 3D.

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In the Anthropocene, plastic pollution has become a new environmental biotope, the so-called plastisphere. In the oceans, nano- and micro-sized plastics are omnipresent and found in huge quantities throughout the water column and sediment, and their large surface area-to-volume ratio offers an excellent surface to which hydrophobic chemical pollutants (e.g.

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Functionalized nanoparticles have been developed for use in nanomedicines for treating life threatening diseases including various cancers. To ensure safe use of these new nanoscale reagents, various assays for biocompatibility or cytotoxicity in vitro using cell lines often serve as preliminary assessments prior to in vivo animal testing. However, many of these assays were designed for soluble, colourless materials and may not be suitable for coloured, non-transparent nanoparticles.

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Article Synopsis
  • Heterostructure WO/BiVO photoanodes show promise for solar-driven hydrogen production but face challenges like poor charge separation and photocorrosion.
  • The addition of cocatalysts like NiOOH increases photocurrent density during water splitting but leads to significant degradation over time; however, using TiO passivation layers can significantly improve performance and stability.
  • The study also finds that natural mine wastewater can be effectively used as an electrolyte, allowing for hydrogen generation and recovery of zinc heavy metals during the process.
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Rheumatoid Arthritis (RA) is an autoimmune disorder that hinders the normal functioning of bones and joints and reduces the quality of human life. Every year, millions of people are diagnosed with RA worldwide, particularly among elderly individuals and women. Therefore, there is a global need to develop new biomaterials, medicines and therapeutic methods for treating RA.

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Since 2015, there has been an increase in articles on anomaly detection in robotic systems, reflecting its growing importance in improving the robustness and reliability of the increasingly utilized autonomous robots. This review paper investigates the literature on the detection of anomalies in Autonomous Robotic Missions (ARMs). It reveals different perspectives on anomaly and juxtaposition to fault detection.

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Metasurface for Engineering Superimposed Ince-Gaussian Beams.

Adv Mater

May 2024

Institute of Photonics and Quantum Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK.

Ince-Gaussian beams (IGBs) are the third complete family of exact and orthogonal solutions of the paraxial wave equation and have been applied in many fields ranging from particle trapping to quantum optics. IGBs play a very important role in optics as they represent the exact and continuous transition modes connecting Laguerre-Gaussian and Hermite-Gaussian beams. The method currently in use suffers from the high cost, complexity, and large volume of the optical system.

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Wounds are responsible for the decrease in quality of life of billions of people around the world. Their assessment relies on subjective parameters which often delays optimal treatments and results in increased healthcare costs. In this work, we sought to understand and quantify how wounds at different healing stages (days 1, 3, 7 and 14 post wounding) change the mechanical properties of the tissues that contain them, and how these could be measured at clinically relevant strain levels, as a step towards quantitative wound tracking technologies.

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In-situ multicore fibre-based pH mapping through obstacles in integrated microfluidic devices.

Sci Rep

February 2024

Research Centre for Carbon Solutions (RCCS), School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK.

Microfluidic systems with integrated sensors are ideal platforms to study and emulate processes such as complex multiphase flow and reactive transport in porous media, numerical modeling of bulk systems in medicine, and in engineering. Existing commercial optical fibre sensing systems used in integrated microfluidic devices are based on single-core fibres, limiting the spatial resolution in parameter measurements in such application scenarios. Here, we propose a multicore fibre-based pH system for in-situ pH mapping with tens of micrometer spatial resolution in microfluidic devices.

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A simple model for functionalized disordered porous media is proposed and the effects of confinement on self-association, percolation and phase behavior of a fluid of patchy particles are studied. The media are formed by randomly distributed hard-sphere obstacles fixed in space and decorated by a certain number of off-center square-well sites. The properties of the fluid of patchy particles, represented by the fluid of hard spheres each bearing a set of the off-center square-well sites, are studied using an appropriate combination of the scaled particle theory for the porous media, Wertheim's thermodynamic perturbation theory, and Flory-Stockmayer theory.

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For the one billion sufferers of respiratory disease, managing their disease with inhalers crucially influences their quality of life. Generic treatment plans could be improved with the aid of computational models that account for patient-specific features such as breathing pattern, lung pathology and morphology. Therefore, we aim to develop and validate an automated computational framework for patient-specific deposition modelling.

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Optical Absorption Properties in Pentacene/Tetracene Solid Solutions.

J Phys Chem A

February 2024

Institute of Applied Physics, University of Tübingen, Auf der Morgenstelle 10, 72076 Tübingen, Germany.

Modifying the optical and electronic properties of crystalline organic thin films is of great interest for improving the performance of modern organic semiconductor devices. Therein, the statistical mixing of molecules to form a solid solution provides an opportunity to fine-tune optical and electronic properties. Unfortunately, the diversity of intermolecular interactions renders mixed organic crystals highly complex, and a holistic picture is still lacking.

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E() Equivariant Graph Neural Network for Learning Interactional Properties of Molecules.

J Phys Chem B

February 2024

Interdisciplinary Material Science Program, Vanderbilt University, Nashville, Tennessee 37235, United States.

We have developed a multi-input E() equivariant graph convolution-based model designed for the prediction of chemical properties that result from the interaction of heterogeneous molecular structures. By incorporating spatial features and constraining the functions learned from these features to be equivariant to E() symmetries, the interactional-equivariant graph neural network (IEGNN) can efficiently learn from the 3D structure of multiple molecules. To verify the IEGNN's capability to learn interactional properties, we tested the model's performance on three molecular data sets, two of which are curated in this study and made publicly available for future interactional model benchmarking.

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Combined fluorescence lifetime and surface topographical imaging of biological tissue.

Biomed Opt Express

January 2024

Institute for Integrated Micro and Nano Systems, School of Engineering, University of Edinburgh, Edinburgh EH9 3FF, UK.

In this work a combined fluorescence lifetime and surface topographical imaging system is demonstrated. Based around a 126 × 192 time resolved single photon avalanche diode (SPAD) array operating in time correlated single-photon counting (TCSPC) mode, both the fluorescence lifetime and time of flight (ToF) can be calculated on a pixel by pixel basis. Initial tests on fluorescent samples show it is able to provide 4 mm resolution in distance and 0.

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Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors.

J Chem Theory Comput

January 2024

Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, Tennessee 37235-1604, United States.

We describe a method for modeling constant-potential charges in heteroatomic electrodes, keeping pace with the increasing complexity of electrode composition and nanostructure in electrochemical research. The proposed "heteroatomic constant potential method" (HCPM) uses minimal added parameters to handle differing electronegativities and chemical hardnesses of different elements, which we fit to density functional theory (DFT) partial charge predictions in this paper by using derivative-free optimization. To demonstrate the model, we performed molecular dynamics simulations using both HCPM and conventional constant potential method (CPM) for MXene electrodes with Li-TFSI/AN (lithium bis(trifluoromethane sulfonyl)imide/acetonitrile)-based solvent-in-salt electrolytes.

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Supercapacitors (SCs), as new energy storage devices with low cost and high performance, urgently require an electrode material with good pore structure and developed graphitization. Herein, we report a 3D hierarchical porous structured carbon aerogel (CA) obtained dissolving-gelling and a subsequent carbonizing process. The gelling process was realized by using different types of anti-solvents.

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Engineering three-dimensional bone macro-tissues by guided fusion of cell spheroids.

Front Endocrinol (Lausanne)

January 2024

Anatomy@Edinburgh, Edinburgh Medical School, Biomedical Sciences, University of Edinburgh, Edinburgh, United Kingdom.

Article Synopsis
  • - The study focuses on enhancing scaffold-free tissue engineering by bioassembling differentiated rat osteoblast (dROb) spheroids to create larger, functional bone tissue equivalents.
  • - Spheroids in various seeding densities were monitored for cell growth and mineralization, utilizing custom-designed pillar supports for bioassembly, allowing maturation into a macrotissue over time.
  • - Results showed that spheroids fused into a macrotissue larger than 2.5 mm with evidence of osteogenic maturation, confirmed by changes in specific molecular markers related to bone formation.
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Angle-dependent next-generation displays have potential applications in 3D stereoscopic and head-mounted displays, image combiners, and encryption for augmented reality (AR) and security. Metasurfaces enable such exceptional functionalities with groundbreaking achievements in efficient displays over the past decades. However, limitations in angular dispersion control make them unfit for numerous nanophotonic applications.

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Acoustophoresis of monodisperse oil droplets in water: Effect of symmetry breaking and non-resonance operation on oil trapping behavior.

Biomicrofluidics

December 2023

Soft Matter Fluidics and Interfaces, MESA+ Institute for Nanotechnology, University of Twente, P. O. Box 217, 7500 AE Enschede, The Netherlands.

Acoustic manipulation of particles in microchannels has recently gained much attention. Ultrasonic standing wave (USW) separation of oil droplets or particles is an established technology for microscale applications. Acoustofluidic devices are normally operated at optimized conditions, namely, resonant frequency, to minimize power consumption.

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Excited-state van der Waals potential energy surfaces for the NO A2Σ+ + CO2X1Σg+ collision complex.

J Chem Phys

September 2023

Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, Scotland EH14 4AS, United Kingdom.

Excited state van der Waals (vdW) potential energy surfaces (PESs) of the NO A2Σ+ + CO2X1Σg+ system are thoroughly investigated using coupled cluster theory and complete active space perturbation theory to second order (CASPT2). First, it is shown that pair natural orbital coupled cluster singles and doubles with perturbative triples yields comparable accuracy compared to CCSD(T) for molecular properties and vdW-minima at a fraction of computational cost of the latter. Using this method in conjunction with highly diffuse basis sets and counterpoise correction for basis set superposition error, the PESs for different intermolecular orientations are investigated.

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Spin-active quantum emitters have emerged as a leading platform for quantum technologies. However, one of their major limitations is the large spread in optical emission frequencies, which typically extends over tens of GHz. Here, we investigate single V vanadium centres in 4H-SiC, which feature telecom-wavelength emission and a coherent S = 1/2 spin state.

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Editorial: Methods in aquatic microbiology.

Front Microbiol

December 2023

Institute for the Study of Earth, Oceans, and Space, University of New Hampshire, Durham, NC, United States.

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The photophysics of organic semiconductor (OSC) thin films or crystals has garnered significant attention in recent years since a comprehensive theoretical understanding of the various processes occurring upon photoexcitation is crucial for assessing the efficiency of OSC materials. To date, research in this area has relied on methods using Frenkel-Holstein Hamiltonians, calculations of the GW-Bethe-Salpeter equation with periodic boundaries, or cluster-based approaches using quantum chemical methods, with each of the three approaches having distinct advantages and disadvantages. In this work, we introduce an optimally tuned, range-separated time-dependent density functional theory approach to accurately reproduce the total and polarization-resolved absorption spectra of pentacene, tetracene, and perylene thin films, all representative OSC materials.

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In the modern era, with the emergence of the Internet of Things (IoT), big data applications, cloud computing, and the ever-increasing demand for high-speed internet with the aid of upgraded telecom network resources, users now require virtualization of the network for smart handling of modern-day challenges to obtain better services (in terms of security, reliability, scalability, etc.). These requirements can be fulfilled by using software-defined networking (SDN).

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