Lattice boltzmann modeling of fluid flow to determine the permeability of a karst specimen

A limestone sample was scanned using computed tomography (CT) and the hydraulic conductivity of the 3D reconstructed sample was determined using Lattice- Boltzmann methods (LBM) at varying scales. Due to the shape and size of the original sample, it was challenging to obtain a consistent rectilinear test sample. Through visual inspection however, 91 mm and 76 mm samples were digitally cut from the original. The samples had porosities of 58% and 64% and produced hydraulic conductivity values of K= 13.5 m/s and K=34.5 m/s, respectively. Both of these samples were re-sampled to 1/8 and 1/64 of their original size to produce new virtual samples at lower resolutions of 0.542 mm/lu and 1.084 mm/lu, while still representing the same physical dimensions. The hydraulic conductivity tended to increase slightly as the resolution became coarser. In order to determine an REV, the 91 mm sample was also sub-sampled into blocks that were 1/8 and 1/64 the size of the original. The results were consistent with analytical expectations such as those produced by the Kozeny-Carman equation. A definitive REV size was not reached, however, indicating the need for a larger sample. The methods described here demonstrate the ability of LBM to test rock structures and sizes not normally attainable.

Fractal analysis of the effect of particle aggregation distribution on thermal conductivity of nanofluids

This project was supported by the National Natural Science Foundation of China (No. 41572116), the Fundamental Research Funds for the Central Universities, China University of Geosciences, Wuhan) (No. CUG160602).

Membrane protein extraction and purification using styrene-maleic acid (SMA) co-polymer:effect of variations in polymer structure

The use of styrene maleic acid (SMA) co-polymers to extract and purify transmembrane proteins, whilst retaining their native bilayer environment, overcomes many of the disadvantages associated with conventional detergent based procedures. This approach has huge potential for the future of membrane protein structural and functional studies. In this investigation we have systematically tested a range of commercially available SMA polymers, varying in both the ratio of styrene to maleic acid and in total size, for the ability to extract, purify and stabilise transmembrane proteins. Three different membrane proteins (BmrA, LeuT and ZipA) which vary in size and shape were used. Our results show that several polymers can be used to extract membrane proteins comparably to conventional detergents. A styrene:maleic acid ratio of either 2:1 or 3:1, combined with a relatively small average molecular weight (7.5-10 kDa) is optimal for membrane extraction, and this appears to be independent of the protein size, shape or expression system. A subset of polymers were taken forward for purification, functional and stability tests. Following a one-step affinity purification SMA 2000 was found to be the best choice for yield, purity and function. However the other polymers offer subtle differences in size and sensitivity to divalent cations that may be useful for a variety of downstream applications.

Study of the relation between the shape of lacosamide crystals and the composition of crystallization medium

Crystallization is the critical process used by pharmaceutical industries to achieve the desired size, size distribution, shape and polymorphism of a product material. Control of these properties presents a major challenge since they influence considerably downstream processing factors. Experimental work aimed at finding ways to control the crystal shape of Lacosamide, an active pharmaceutical ingredient developed by UCB Pharma, during crystallization was carried out. It was found that the crystal lattice displayed a very strong unidirectional double hydrogen bonding, which was at the origin of the needle shape of the Lacosamide crystals. Two main strategies were followed to hinder the hydrogen bonding and compete with the addition of a Lacosamide molecule along the crystal length axis: changing the crystallization medium or weakening the hydrogen bonding. Various solvents were tested to check whether the solvent used to crystallize Lacosamide had an influence on the final crystal shape. Solvent molecules seemed to slow down the growth in the length axis by hindering the unidirectional hydrogen bonding of Lacosamide crystals, but not enough to promote the crystal growth in the width axis. Additives were also tested. Certain additives have shown to compete in a more efficient way than solvent molecules with the hydrogen bonding of Lacosamide. The additive effect has also shown to be compatible with the solvent effect. In parallel, hydrogen atoms in Lacosamide were changed into deuterium atoms in order to weaken the hydrogen bonds strength. Weakening the hydrogen bonds of Lacosamide allowed to let the crystal grow in the width axis. Deuteration was found to be combinable with solvent effect while being in competition with the additive effect. The Lacosamide molecule was eventually deemed an absolute needle by the terms of Lovette and Doherty. The results of this dissertation are aimed at contributing to this classification.

Permafrost cores and active layer pits on Herschel Island: link to shape files

Twelve permafrost cores and active layer pits were drilled/dug on Herschel Island in order to estimate the soil organic carbon and total nitrogen contents in the first 30, 100 and 200 cm of ground. The data are shapefile points with attribute table, which contains different core information.