Reliability of Algorithms Interpreting Topological and Geometric Properties of Porous Media for Pore Network Modelling

Pore network models (PNMs) offer a computationally efficient way to analyse transport in porous media. Their effectiveness depends on how well they represent the topology and geometry of real pore systems, for example as imaged by X-ray CT. The performance of two popular algorithms, maximum ball and watershed, is evaluated for three porous systems: an idealised medium with known pore throat properties and two rocks with different morphogenesis—carbonate and sandstone. It is demonstrated that while the extracted PNM simulates simple flow (permeability) with acceptable accuracy, their topological and geometric properties are significantly different. This suggests that such PNM may not serve more complex studies, such as reactive/convective transport of contaminants or bacteria, and further research is necessary to improve the interpretation of real pore spaces with networks. Linear topology–geometry relations are derived and presented to stimulate development of more realistic PNM.

     

The single-mode rate equations for semiconductor lasers with thermal effects

A mathematical model describing the coupling of electrical,optical and thermal effects in semiconductor lasers is introduced.Numerical and asymptotic solutions are derived, including expressionsfor key physical quantities such as the initial time delay,the frequency of spike oscillation and the temperature rise,together with its influence on the photon density, the electronconcentration and the threshold current. The consequences ofthermal effects in reducing efficiency are thus quantified.     

Fredholm equations have uniformly convergent solutions

By suitably normalizing, the Hilbert-Schmidt theorem is shown to always hold. This is used to show that Fredholm integral equations always have solutions (in terms of the eigenfunctions) that are absolutely and uniformly convergent. A version of Mercer's theorem is also given.     

连续波锁模P_r~（3＋）：YLF激光器

本文报导了采用氩离子激光器来泵浦Ｒｒ￣（３＋）：ＹＬＦ晶体，应用声光调制器实现了主动锁模；同时应用振动─高反射平面镜也实现了被动锁模，两种锁模均得到了ｐｓ光脉冲。据作者了解这是这种晶体材料的第一次锁模运转。     

‘Soft’ phonon modes, structured diffuse scattering and the crystal chemistry of Fe-bearing sphalerites

Electron diffraction has been used to carefully investigate the reciprocal lattices of a range of iron-bearing sphalerites looking for evidence of Fe clustering and/or Fe/Zn ordering in the form of either additional satellite reflections or a structured diffuse intensity distribution accompanying the strong Bragg reflections of the underlying sphalerite-type average structure. While a highly structured diffuse intensity distribution in the form of transverse polarized {110}^* sheets of diffuse intensity has been detected and found to be characteristic of all compositions, it does not appear to arise from Fe clustering and/or Fe/Zn ordering. Rather inherently low frequency, and therefore strongly thermally excited, phonon modes propagating along reciprocal space directions perpendicular to each of the six 〈110〉 real space directions of the average structure are suggested to be responsible for these {110}^* sheets of diffuse intensity. Monte Carlo simulation (for a range of Zn-S, Zn-Zn and S-S interaction strengths) and subsequent Fourier transformation is used to confirm the existence of these low-frequency phonon modes of distortion as well as to show that they are an intrinsic, predictable property of the corner-connected tetrahedral structure of sphalerite. The low-frequency phonon modes involve coupled (Zn, Fe) and S motion in one-dimensional strings along 〈110〉 real space directions.     

Directed evolution of new glycosynthases from Agrobacterium beta-glucosidase: a general screen to detect enzymes for oligosaccharide synthesis

BACKGROUND: Oligosaccharide synthesis is becoming increasingly important to industry as diverse therapeutic roles for these molecules are discovered. The chemical synthesis of oligosaccharides on an industrial scale is often prohibitively complex and costly. An alternative, that of enzymatic synthesis, is limited by the difficulty of obtaining an appropriate enzyme. A general screen for enzymes that catalyze the synthesis of the glycosidic bond would enable the identification and engineering of new or improved enzymes. RESULTS: Glycosynthases are nucleophile mutants of retaining glycosidases that efficiently catalyze the synthesis of the glycosidic linkage by condensing an activated glycosyl fluoride donor with a suitable acceptor sugar. A novel agar plate-based coupled-enzyme screen was developed (using a two-plasmid system) and used to select an improved glycosynthase from a library of mutants. CONCLUSIONS: Plate-based coupled-enzyme screens of this type are extremely valuable for identification of functional synthetic enzymes and can be applied to the evolution of a range of glycosyl transferases.     

Synthesis, electron diffraction, XRD and DSC study of the new elpasolite-related oxyfluoride, Tl3MoO3F3

Tl₃MoO₃F₃, a previously unreported member of the A₂BM^VIO₃F₃ family of elpasolite-related oxyfluorides, has been prepared by the reaction of TlF with MoO₃ at 655°C. DSC shows two major polymorphic phase transitions at 42°C and 130°C, respectively. Electron diffraction and XRD studies of the complex room temperature polymorphic form of this material indicate that the spacegroup symmetry is monoclinic P1a1 with a superstructure unit cell given by , when expressed with respect to the underlying ideal elpasolite-type parent structure. This superstructure, while related, is not isomorphous to that recently reported for K₃MoO₃F₃. The existence of a shared subset of strong type satellite reflections suggests the existence of a common intermediate superstructure. A highly structured, three-dimensional continuous diffuse intensity distribution is observed in Tl₃MoO₃F₃ and Rb₂KMoO₃F₃. This suggests that a particular pattern of local O/F ordering and associated Mo ion shifts, recently shown to be responsible for the existence of this diffuse distribution in the case of K₃MoO₃F₃, may be common to the entire family of elpasolite-related A₂BM^VIO₃F₃ compounds.     

Synthesis and kinetic analysis of the N-acetylhexosaminidase inhibitor XylNAc-isofagomine

[reaction: see text] An efficient 10-step preparation from 4-methoxypyridine of (2R,3R,4R)-2-acetamido-3,4-dihydroxypiperidine ("XylNAc-isofagomine") in optically active form is described. Key steps include an enantioselective reduction with catecholborane/(S)-2-methyl-CBS-oxazaborolidine, and a stereoselective pseudo-glycosylation of lithium azide by a cyclic sulfite ester. The title compound showed a Ki = 21 microM when evaluated against the N-acetyl-beta-hexosaminidase from Streptomyces plicatus.     

As-As dimerization, Fermi surfaces and the anomalous electrical transport properties of UAsSe and ThAsSe

A temperature dependent electron diffraction study has been carried out on UAsSe to search for evidence of As-As dimerization at low temperature. A highly structured characteristic diffuse intensity distribution, closely related to that recently reported for ThAsSe, has been observed at low temperature and interpreted in terms of a gradual charge density wave type phase transition upon lowering of temperature involving disordered As-As dimerization within (001) planes. Plausible models of the proposed As-As dimerization have been obtained using a group theoretical approach. Electronic band structure calculations of ThAsSe and UAsSe have been used to search for potential Fermi surface nesting wave-vectors. The results are in good agreement with the experimentally observed diffuse intensity distributions in both cases.