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Classical molecular dynamics simulations are a common component of multi-modal analyses of scattering measurements, such as small-angle scattering and diffraction. Users of these experimental techniques often have no formal training in the theory and practice of molecular dynamics simulation, leading to the possibility of these simulations being treated as a `black box' analysis technique. This ar
Films of titanate nanosheets (approx. 1.8-nm layer thickness and 200-nm size) having a lamellar structure can form electrolyte-filled semi-permeable channels containing tetrabutylammonium cations. By evaporation of a colloidal solution, persistent deposits are readily formed with approx. 10-μm thickness on a 6-μm-thick poly(ethylene-terephthalate) (PET) substrate with a 20-μm diameter microhole.
3D foam scaffolds were produced in a "bottom-up" approach from lyophilised cationic cellulose nanofibril (CCNF) dispersions and emulsions (CCNF degree of substitution 23.0 ± 0.9%), using a directional freezing/lyophilisation approach, producing internal architectures ranging from aligned smooth walled micro channels, mimicking vascularised tissue, to pumice-like wall textures, reminiscent of poro
The interfacial nanostructure of the three most widely-studied Deep Eutectic Solvents (DESs), choline chloride:urea (ChCl:Urea), choline chloride:ethylene glycol (ChCl:EG), and choline chloride:glycerol (ChCl:Gly) at a Pt(111) electrode has been studied as a function of applied potential and water content up to 50 wt%. Contact mode atomic force microscope (AFM) force-distance curves reveal that fo
A novel mechanism of heat-triggered gelation for oxidised cellulose nanofibrils (OCNF) is reported. We demonstrate that a synergistic approach combining rheology, small-angle X-ray scattering (SAXS) and saturation transfer difference NMR (STD NMR) experiments enables a detailed characterisation of gelation at different length scales. OCNF dispersions experience an increase in solid-like behaviour
Solvent-induced physical hydrogels of TEMPO-oxidized cellulose nanofibrils (OCNFs) were obtained from aqueous/alcoholic dispersions of fibrils in lower alcohols, namely, methanol, ethanol, 1-propanol and 2-propanol. The sol-gel transition occurs above a critical alcohol concentration of ca. 30 wt% for all alcohols tested. The rheological properties of the hydrogels depend on the nature of the alco
Endosomal entrapment is a key issue for the intracellular delivery of many nano-sized biotherapeutics to their cytosolic or nuclear targets. Photochemical internalisation (PCI) is a novel light-based solution that can be used to trigger the endosomal escape of a range of bioactive agents into the cytosol leading to improved efficacy in pre-clinical and clinical studies. PCI typically depends upon
Pores in the size range 2.0-20 nm are considered mesopores. Using the sol-gel process and a catalog of surfactant molecules, thin films with ordered mesopores can be produced. Films formed by evaporation-induced self-assembly, growth from solution, and other methods such as vapor phase deposition and pulsed laser deposition are examined. The various patterns derived from these approaches are discu
Zwitterionic cellulose nanofibrils (ZCNFs) with an isoelectric point of 3.4 were obtained by grafting glycidyltrimethylammonium chloride onto TEMPO/NaBr/NaOCl-oxidised cellulose nanofibrils. The ZCNF aqueous dispersions were characterized via transmission electron microscopy, rheology and small angle neutron scattering, revealing a fibril-bundle structure with pronounced aggregation at pH 7. Surfa
Emulsions are used widely in formulated consumer products, paints and coatings, foods, and pharmaceutical preparations to name just a few examples. Frequently surfactants are employed as emulsifiers, but the use of particles, including nanoparticles, can offer advantages. Naturally derived, or synthetic, particles that are biodegradable can reduce end-of-life environmental impact, while offering a
Background: Small-angle scattering (SAS) is a powerful technique capable of determining the sample averaged structure of systems within sizes ranging from 1 nm to ~500 nm. This is particularly useful when applied to the study of self-assembled organic systems. Objective: This review article introduces the method of model-dependent analysis of small angle scattering. Method: The underlying mathemat
We present radial velocity follow-up observations of K2-19, a compact planetary system hosting three planets, of which the two larger ones, K2-19b and K2-19c, are close to the 3:2 mean motion resonance. An analysis considering only the radial velocity measurements detects K2-19b, the larger and more massive planet in the system, with a mass of 54.8 ± 7.5M⊕ and provides a marginal detection of K2-1
Pseudohypertrophy of musculus tensor fascia lata presenting as a soft tissue tumor: a case report Conditions presenting as palpable soft tissue masses are a common clinical issue. This case report describes a patient with unilateral pseudohypertrophy of m. tensor fasciae latae, which is an uncommon differential diagnosis for a palpable soft tissue mass. The patient presented a palpable soft tissue
Flicker can be annoying, but above all it can have a negative effect on human health; causing irritation, headaches, eye strain and migraines. With the introduction of LED lamps, flicker has once again become a problem. In addition to the unnecessary suffering caused to individuals, the negative consequences create an obstacle to the wide and rapid adoption of new LED technology and thus also an oFlicker can be annoying, but above all it can have a negative effect on human health; causing irritation, headaches, eye strain and migraines. With the introduction of LED lamps, flicker has once again become a problem. In addition to the unnecessary suffering caused to individuals, the negative consequences create an obstacle to the wide and rapid adoption of new LED technology and thus also an o
Flimmer kan vara irriterande, men framför allt kan det ha en negativ effekt på människors hälsa, orsaka irritation, huvudvärk, ögonansträngning och migrän. I och med införandet av LED-lampor har flimmer åter blivit ett problem. Förutom det onödiga lidande flimmer orsakar hos individer, skapar de negativa konsekvenserna ett hinder för bred och snabb anpassning av den nya LED-tekniken och därmed ock
This thesis explores the use of data mining and AI-tailored frameworks for extracting public health evidence from large health datasets. The research presented in this thesis demonstrates the potential of these tools for automating and simplifying the data mining process, and for providing valuable insights into various public health issues.In Paper I, we used data mining and natural language proc
Understanding how and why soil microbial communities respond to temperature changes is important for understanding the drivers of microbial distribution and abundance. Studying soil microbe responses to warming is often made difficult by concurrent warming effects on soil and vegetation and by a limited number of warming levels preventing the detection of non-linear effects. A unique area in Icela
Intercalation of very long molecules into the structure of multi-layered graphene oxide (GO) was studied using example of 1-hexadecanol (C16), an alcohol molecule with 16 carbon atoms. Brodie graphite oxide (BGO) immersed in excess of liquid C16 just above the melting point shows expansion of c-unit cell parameter from ∼6 Å to ∼48.76 Å forming a structure with two densely packed layers of C16 mole
