Thermal and light induced polymorphism in iron(II) spin crossover compounds

The spin crossover complexes [Fe[H(2)B(pz)(2)](2)L]([H(2)B(pz)(2)](-)= dihydrobis(pyrazolyl)borate, L = 2,2[prime or minute]-bipyridine (1), bipy and 1,10-phenanthroline, phen (2)) undergo both thermal and light induced spin crossover, but the structure of the low spin and light induced high spin states for are different from that of the thermally induced high spin state and from those of.     

Semipositive Bundles and Brill-Noether Theory

A Lefschetz hyperplane theorem for the determinantal loci ofa morphism between two holomorphic vector bundles E and F overa complex manifold is proved, under the condition that E* Fis Griffiths k-positive. This result is applied to find somehomotopy groups of the Brill–Noether loci for a genericcurve. 2000 Mathematics Subject Classification 32Q55, 14M12,14H51.     

Accurate prediction of large antiferromagnetic interactions in high- T(c) HgBa2Ca(n-1)Cu(n)O(2n+2+delta) ( n = 2,3) superconductor parent compounds

The in-plane nearest-neighbor Heisenberg magnetic coupling constant, J, of La2CuO4, Nd2CuO4, Sr2CuO2Cl2, YBa2Cu3O6, and undoped HgBa(2)Ca(n-1)Cu(n)O(2n+2+delta) ( n = 1,2,3) is calculated from accurate ab initio configuration interaction calculations. For the first four compounds, the theoretical J values are in quantitative agreement with experiment. For the Hg-based compounds the predicted values are -135 meV ( n = 1) and approximately -160 meV ( n = 2,3), the latter being much larger than in previous cases and, for n = 3, increasing with pressure. Nevertheless, the physics governing J in all these layered cuprates appears to be the same. Moreover, calculations suggest a possible relationship between J and T(c).     

A Batch Injection Analysis System with Square-wave Voltammetric Detection for Fast and Simultaneous Determination of Zinc and Ascorbic Acid

The determination of organic and inorganic compounds in a single run is still a great challenge. In this paper, we developed a method for fast simultaneous determination of ascorbic acid (AA) and zinc ions (Zn) using batch injection analysis with detection by square-wave anodic stripping voltammetry (BIA-SWASV). Britton-Robinson (BR) buffer solution (pH=6.0) as the supporting electrolyte and boron doped diamond (BDD) as the working electrode. The method presented favorable analytical characteristics such as fast response (67 injections h⁻¹), low detection limits (0.2 and 5.4 μmol L⁻¹ for Zn ions and AA, respectively) and recovery values of 99±3%.     

Design,Synthesis, and Biological Evaluation of Tetra-Substituted Thiophenes as Inhibitors of p38α MAPK

p38α mitogen-activated protein kinase (MAPK) plays a role in several cellular processes and consequently has been a therapeutic target in inflammatory diseases, cancer, and cardiovascular disease. A number of known p38α MAPK inhibitors contain vicinal 4-fluorophenyl/4-pyridyl rings connected to either a 5- or 6-membered heterocycle. In this study, a small library of substituted thiophene-based compounds bearing the vicinal 4-fluorophenyl/4-pyridyl rings was designed using computational docking as a visualisation tool. Compounds were synthesised and evaluated in a fluorescence polarisation binding assay. The synthesised analogues had a higher binding affinity to the active phosphorylated form of p38α MAPK than the inactive nonphosphorylated form of the protein. 4-(2-(4-fluorophenyl)thiophen-3-yl)pyridine had a K_i value of 0.6 μm to active p38α MAPK highlighting that substitution of the core ring to a thiophene retains affinity to the enzyme and can be utilised in p38α MAPK inhibitors. This compound was further elaborated using a substituted phenyl ring in order to probe the second hydrophobic pocket. Many of these analogues exhibited low micromolar affinity to active p38α MAPK. The suppression of neonatal rat fibroblast collagen synthesis was also observed suggesting that further development of these compounds may lead to potential therapeutics having cardioprotective properties.     

Electrochemical detection of 2,4,6-trinitrotoluene on carbon nanotube modified electrode: Effect of acid functionalization

Journal of Solid State Electrochemistry - This work presents new insights on the electrocatalytic reduction of 2,4,6-trinitrotoluene (TNT) on carbon nanotubes (CNTs)-modified electrodes...     

Flow‐Injection Amperometric Method for Indirect Determination of Dopamine in the Presence of a Large Excess of Ascorbic Acid

A simple flow injection amperometric system for fast and indirect quantification of dopamine (DA) in the presence of a large excess of ascorbic acid (AA) is reported. The method consists of the application of three sequential potential pulses to an unmodified glassy carbon‐working electrode positioned in a wall‐jet cell. DA is indirectly detected at +0.35 V through the reduction of the oxidation product (o‐dopaminoquinone) electrochemically generated at +0.80 V. The third potential pulse (0.00 V) is applied for the regeneration (cleaning) of the unmodified working electrode. The limits of detection (LOD) and quantification (LOQ) were calculated as 50 and 170 nmol L^?1, respectively. Considering the LOQ value, the present methodology allows DA quantification in the presence up to 5000‐fold more of AA (1.0 mmol L^?1).     

Interrelationships between 3-T-MRI-derived cortical and trabecular bone structure parameters and quantitative-computed-tomography-derivedbone mineral density

Recently, 3-T magnetic resonance imaging (MRI) has been introduced for bone imaging. Through higher signal-to-noise ratios, as compared to 1.5-T MRI, it promises to be a more powerful tool for the assessment of cortical and trabecular bone measures. The goal of our study was to compare MRI-derived cortical and trabecular bone measures to quantitative computed tomography (QCT)-derived bone mineral density (BMD). Using 3-T MRI in 51 postmenopausal women, apparent (app.) measures of bone volume/total volume, trabecular number (Tb.N), trabecular thickness (Tb.Th) and trabecular separation were derived at the distal radius, distal tibia and calcaneus. Cortical thickness (Ct.Th) was calculated at the distal radius and distal tibia. These measures were compared to QCT-derived BMD of the spine, hip and radius. Significant correlations (^?P<.05; ^??P<.001; ^???P<.0001) were found between spine BMD- and MRI-derived Ct.Th (r_radius=.55, ^?P<.05; r_tibia=.67, ^???P<.0001) and app. Tb.N (r_radius=.33, ^?P<.05; r_tibia=.35, ^?P<.05) at the radius and tibia. Furthermore, within the first 10 mm at the radius, an inverse correlation for Ct.Th and app. BV/TV (r_6mm=−.56, P<.001; r_10mm=−.36, P<.05) and app. Tb.Th (r_6mm=−.54, P<.001; r_10mm=−.41, P<.05) was found.