Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine

Co-crystal screening of the anti-HIV drug lamivudine was carried out with dicarboxylic acids as co-formers, and three of the resulting crystalline solids, two salts and a co-crystal, were studied with SCXRD, PXRD and FTIR spectroscopy. Salts of cytosine, a molecule that incorporates critical structural features of lamivudine, with the same co-formers, were taken as model systems for IR spectroscopic studies of the synthons in the salts of lamivudine. It is shown that different systems with the same synthon show very similar spectral signatures in the regions corresponding to the synthon absorptions. This reveals again the modular nature of the supramolecular synthon.

Structural basis for the catalytic mechanism of homoserine dehydrogenase

Homoserine dehydrogenase (HSD) is an oxidoreductase in the aspartic acid pathway. This enzyme coordinates a critical branch point of the metabolic pathway that leads to the synthesis of bacterial cell-wall components such as L-lysine and m-DAP in addition to other amino acids such as L-threonine, L-methionine and L-isoleucine. Here, a structural rationale for the hydride-transfer step in the reaction mechanism of HSD is reported. The structure of Staphylococcus aureus HSD was determined at different pH conditions to understand the basis for the enhanced enzymatic activity at basic pH. An analysis of the crystal structure revealed that Lys105, which is located at the interface of the catalytic and cofactor-binding sites, could mediate the hydride-transfer step of the reaction mechanism. The role of Lys105 was subsequently confirmed by mutational analysis. Put together, these studies reveal the role of conserved water molecules and a lysine residue in hydride transfer between the substrate and the cofactor.

Macro-Level Assessment of Seismically Induced Landslide Hazard for the State of Sikkim, India Based On GIS Technique

This paper presents a macro-level seismic landslide hazard assessment for the entire state of Sikkim, India, based on the Newmark's methodology. The slope map of Sikkim was derived from ASTER Global Digital Elevation Model (GDEM). Seismic shaking in terms of peak horizontal acceleration (PHA) at bedrock level was estimated from deterministic seismic hazard analysis (DSHA), considering point source model. Peak horizontal acceleration at the surface level for the study area was estimated based on nonlinear site amplification technique, considering B-type NEHRP site class. The PHA at surface was considered to induce driving forces on slopes, thus causing landslides. Knowing the surface level PHA and slope angle, the seismic landslide hazard assessment for each grid point was carried out using Newmark's analysis. The critical static factor of safety required to resist landslide for the PHA (obtained from deterministic analysis) was evaluated and its spatial variation throughout the study area is presented. For any slope in the study area, if the in-situ (available) static factor of safety is greater than the static factor of safety required to resist landslide as predicted in the present study, that slope is considered to be safe.

Anomalous reduction in domain wall displacement at the morphotropic phase boundary of the piezoelectric alloy system PbTiO3-BiScO3

A comparative study of field-induced domain switching and lattice strain was carried out by in situ electric-field-dependent high-energy synchrotron x-ray diffraction on a morphotropic phase boundary (MPB) and a near-MPB rhombohedral/pseudomonoclinic composition of a high-performance piezoelectric alloy (1-x) PbTiO3-(x)BiScO3. It is demonstrated that the MPB composition showing large d(33) similar to 425 pC/N exhibits significantly reduced propensity of field-induced domain switching as compared to the non-MPB rhombohedral composition (d(33) similar to 260 pC/N). These experimental observations contradict the basic premise of the martensitic-theory-based explanation which emphasizes on enhanced domain wall motion as the primary factor for the anomalous piezoelectric response in MPB piezoelectrics. Our results favor field-induced structural transformation to be the primary mechanism contributing to the large piezoresponse of the critical MPB composition of this system.

A simulation model of a floating half zone

A simulation model of a floating half zone was suggested by steady numerical simulation and experiment respectively, in the previous papers [Q.S. Chen, W.R. Hu, Int. J. Mass Heat Transfer 40 (1997) 757; J.H. Han, Y. Ar, R. Zhou, W.R. Hue, Int. J. Mass Heat Transfer 40 (1997) 2671]. In the present paper, the simulation model is studied by using the method of unsteady and three-dimensional numerical simulation, and the transient process from steady convection to oscillatory convection is especially analyzed. Comparison of onsets of oscillation for both simulation model and the usual model were obtained, and the results show that the critical Marangoni number of the simulation model is obviously smaller than that of the usual model for the same slender liquid bridge. This implies that the usual model of a floating half zone gives a lower estimation on the onset of oscillation for floating zone convection.

Effects of the Spanwise Characteristic Length on the Transition Feature in the Wake of a Cylinder

The transition features of the wake behind a uniform circular cylinder at Re = 200, which is just beyond the critical Reynolds number of 3-D transition, are investigated in detail by direct numerical simulations of 3-D incompressible Navier-Stokes equations. The spanwise characteris-tic length determines the transition features and global properties of the wake.

Influences of slope gradient on soil erosion

The main factors influencing soil erosion include the net rain excess, the water depth, the velocity, the shear stress of overland flows, and the erosion-resisting capacity of soil. The laws of these factors varying with the slope gradient were investigated by using the kinematic wave theory. Furthermore, the critical slope gradient of erosion was driven. The analysis shows that the critical slope gradient of soil erosion is dependent on grain size, soil bulk density, surface roughness, runoff length, net rain excess, and the friction coefficient of soil, etc. The critical slope gradient has been estimated theoretically with its range between 41.5 degrees similar to 50 degrees.

Addition of ferromagnetic CoFe2O4 to YBCO thin films for enhanced flux pinning

An attempt has been made to prepare a YBa2Cu3O 7-δ (YBCO) thin film doped with ferromagnetic CoFe 2O4. Transmission electron microscopy of the resultant samples shows, however, that Y(Fe, Co)O3 forms as a nanoparticulate dispersion throughout the film in preference to CoFe2O4, leaving the YBCO yttrium deficient. As a consequence, the superconducting properties of the sample are poor, with a self-field critical current density of just 0.25 MA cm-2. Magnetic measurements indicate however that the Y(Fe, Co)O3 content, together with any other residual phases, is also ferromagnetic, and some interesting features are present in the in-field critical current behaviour, including a reduced dependence on applied field and a strong c-axis peak in the angular dependence. The work points the way towards future attempts utilising YFeO3 as an effective ferromagnetic pinning additive for YBCO. © 2009 Elsevier B.V. All rights reserved.

Damage Localization, Sensitivity of Energy Release and the Catastrophe Transition

Large earthquakes can be viewed as catastrophic ruptures in the earth’s crust. There are two common features prior to the catastrophe transition in heterogeneous media. One is damage localization and the other is critical sensitivity; both of which are related to a cascade of damage coalescence. In this paper, in an attempt to reveal the physics underlying the catastrophe transition, analytic analysis based on mean-field approximation of a heterogeneous medium as well as numerical simulations using a network model are presented. Both the emergence of damage localization and the sensitivity of energy release are examined to explore the inherent statistical precursors prior to the eventual catastrophic rupture. Emergence of damage localization, as predicted by the mean-field analysis, is consistent with observations of the evolution of damage patterns. It is confirmed that precursors can be extracted from the time-series of energy release according to its sensitivity to increasing crustal stress. As a major result, present research indicates that the catastrophe transition and the critical point hypothesis (CPH) of earthquakes are interrelated. The results suggest there may be two cross-checking precursors of large earthquakes: damage localization and critical sensitivity.

Diálogo teológico con Walter Kasper : la recepción de la eclesiología conciliar en la Argentina

Resumen: n esta intervención Carlos Galli dialoga con la valiosa ponencia del cardenal Walter Kasper resumiendo la recepción de la eclesiología conciliar desde la Argentina. Este diálogo se centra en cuatro puntos, la dialéctica liberación – libertad en el diálogo de la Iglesia con la modernidad, la recepción argentina de su eclesiología considerando las relaciones entre la fe del Pueblo de Dios y las culturas de los pueblos, la reforma evangélica radical a partir del paradigma de la conversión misionera de todo el Pueblo de Dios y de todos en el Pueblo de Dios. El género del texto une el comentario interpretativo y el diálogo teológico más constructivo que crítico.

Limiting States Of Internal Wave Rays

Existing models of baroclinic tides are based upon the "traditional approximation'', i. e., neglect of the horizontal component of the Earth's rotation, leading to a well- known conclusion that no freely propagating internal waves can exist beyond the critical latitude and the wave rays are symmetric to the vertical. However, recent studies have contended that the situation may change if both the vertical and horizontal components of the Earth's rotation are taken into account. With the full account of the Coriolis force, characteristics of the internal wavefield generated by tidal flow over uneven topography are investigated. It is found that "nontraditional effects'' profoundly change not only the dynamics of internal waves but also the rate at which the barotropic tidal energy is fed into the internal wavefield. Discarding the traditional approximation, internal waves are proved to be able to generate poleward of the critical latitude, rays of which are no longer symmetric and the limiting values of ray angles become greater or less than 90 degrees, depending on the local latitude and the direction of ray. More importantly, in contrast to the predictions of models based upon the traditional approximation, a substantial conversion occurs in the situations when stratification is so weak that the buoyancy frequency is below the tidal one.

Effect Of Load Triaxiality On Polymorphic Transitions In Zinc Oxide

Molecular dynamics (MD) simulations and first-principles calculations are carried out to analyze the stability of both newly discovered and previously known phases of ZnO under loading of various triaxialities. The analysis focuses on a graphite-like phase (FIX) and a body-centered-tetragonal phase (BCT-4) that were observed recently in [0 1 (1) over bar 0]- and [0 0 0 1]-oriented nanowires respectively under uniaxial tensile loading as well as the natural state of wurtzite (WZ) and the rocksalt (RS) phase which exists under hydrostatic pressure loading. Equilibrium critical stresses for the transformations are obtained. The WZ -> HX transformation is found to be energetically favorable above a critical tensile stress of 10 GPa in [0 1 (1) over tilde 0] nanowires. The BCT-4 phase can be stabilized at tensile stresses above 7 GPa in [0 0 0 1] nanowires. The RS phase is stable at hydrostatic pressures above 8.2 GPa. The identification and characterization of these phase transformations reveal a more extensive polymorphism of ZnO than previously known. A crystalline structure-load triaxiality map is developed to summarize the new understanding. (c) 2007 Elsevier Ltd. All rights reserved.

Features of the supercritical transition in the wake of a circular cylinder

The features of the wake behind a uniform circular cylinder at Re = 200, which is just beyond the critical Reynolds number of 3-D transition, are investigated in detail by direct numerical simulations by solving 3-D incompressible Navier-Stokes equations using mixed spectral-spectral-element method. The high-order splitting algorithm based on the mixed stiffly stable scheme is employed in the time discretization. Due to the nonlinear evolution of the secondary instability of the wake, the spanwise modes with different wavelengths emerge. The spanwise characteristic length determines the transition features and global properties of the wake. The existence of the spanwise phase difference of the primary vortices shedding is confirmed by Fourier analysis of the time series of the spanwise vorticity and attributed. to the dominant spanwise mode. The spatial energy distributions of various modes and the velocity profiles in the near wake are obtained. The numerical results indicate that the near wake is in 3-D quasi-periodic laminar state with transitional behaviors at this supercritical Reynolds number.

Relación entre historia de la filosofía y filosofía teorética

Resumen: El presente artículo, después de trazar un resumen del recorrido de los modos de historiar la filosofía, enfoca el tema de la relación entre ambos aspectos: el de la filosofía teorética y el de la historia de la filosofía. Toma distancia crítica tanto de la concepción que independiza la historia de la filosofía de la labor de búsqueda de la verdad teorética, como de la identificación de ambas dimensiones, tesis que tomó forma sobre todo a partir de Hegel. Propone una aplicación de la hermenéutica en la lectura del pasado filosófico, para abrir nuevas cuestiones y horizontes de búsqueda en el mundo de la realidad y en las exigencias y desafíos de la propia época histórica. Dicha hermenéutica, a su vez, no se desliza hacia el relativismo, sino que confirma la perennidad de lo verdadero en su persistencia fecunda a lo largo del tiempo.

Deepwater reef fishes and multibeam bathymetry of the Tortugas South Ecological Reserve, Florida Keys National Marine Sanctuary, Florida

The Tortugas South Ecological Reserve, located along the margin of the southwest Florida carbonate platform, is part of the largest no-take marine reserve in the U.S. Established in July 2001, the reserve is approximately 206 km2 in area, and ranges in depths from 30 m at Riley’s Hump to over 600 m at the southern edge of the reserve. Geological and biological information for the Tortugas South Reserve is lacking, and critical for management of the area. Bathymetric surveys were conducted with a Simrad EM 3000 multibeam echosounder at Riley’s Hump and Miller’s Ledge, located in the northern and central part of the reserve. Resulting data were used to produce basemaps to obtain geological ground truth and visual surveys of biological communities, including reef fishes. Visual surveys were conducted using SCUBA and the Phantom S2 Remotely Operated Vehicle (ROV) at Riley’s Hump. Visual surveys were conducted using the ROV and the Deepworker 2000 research submersible along Miller’s Ledge, within and outside of the reserve. A total of 108 fishes were recorded during SCUBA, ROV, and submersible observations. Replicate survey transects resulted in over 50 fishes documented at Miller’s Ledge, and eight of the top ten most abundant species were planktivores. Many species of groupers, including scamp (Mycteroperca phenax), red grouper (Epinephelus morio), snowy grouper (E. niveatus), speckled hind (E. drummondhayi), and Warsaw grouper (E. nigritus), are present in the sanctuary. Numerous aggregations of scamp and a bicolor phase of the Warsaw grouper were observed, indicating the importance of Miller’s Ledge as a potential spawning location for both commercially important and rare deep reef species, and as a potential source of larval recruits for the Florida Keys and other deep reef ecosystems of Florida