Crystal structure of the 4-chromanone derivative.

The title compound was extracted from a natural product and its structure was characterized by an X-ray diffraction method. It crystallizes in the tetragonal space group P41 with cell parameters a = 15.832(10)A, c = 11.622(10)A, Z = 4; the final residual factor is R1 = 0.0769. The structure has both intra and intermolecular hydrogen bonds.     

Spin-transfer switching in MgO magnetic tunnel junction nanostructures

Spin-transfer driven switching was observed in MgO based magnetic tunnelling junctions (MTJ) with tunnelling magnetoresistance ratio of up to 160% and the average intrinsic switching current density (J_c0) down to 2 MA/cm², which are the best known results reported in spin-transfer switched MTJ nanostructures. Based on a comparison of results both from MgO and AlO_x MTJs, further switching current decrease via MgO dual structures with two pinned layers is discussed.     

Study of solar features causing GMSs with 250γ<<Emphasis Type="Italic">H</Emphasis><400γ

The effect of solar features on geospheric conditions leading to geomagnetic storms (GMSs) with planetary index,A ^P ≥ 20 and the range of horizontal component of the Earth’s magnetic fieldH such that 250γ <H < 400γ has been investigated using interplanetary magnetic field (IMF), solar wind plasma (SWP) and solar geophysical data (SGD) during the period 1978–99. Statistically, it is observed that maximum number of GMSs have occurred during the maximum solar activity years of 21st and 22nd solar cycles. A peculiar result has been observed during the years 1982, 1994 when sunspot numbers (SSNs) decrease very rapidly while numbers of GMSs increase. No distinct association between yearly occurrence of disturbed days and SSNs is observed. Maximum number of disturbed days have occurred during spring and rainy seasons showing a seasonal variation of disturbed days. No significant correlation between magnitude (intensity) of GMSs and importance ofH _α , X-ray solar flares has been observed. Maximum number of GMSs is associated with solar flares of lower importance, i.e., SF during the period 1978-93.H _α , X-ray solar flares occurred within lower helio-latitudes, i.e., (0–30)°N to (0–30)°S are associated with GMSs. NoH _α , X-ray solar flares have occurred beyond 40°N or 40°S in association with GMSs. In helio-latitude range (10–40)°N to (10–40)°S, the 89.5% concentration of active prominences and disappearing filaments (APDFs) are associated with GMSs. Maximum number of GMSs are associated with solar flares. Coronal mass ejections (CMEs) are related with eruptive prominences, solar flares, type IV radio burst and they occur at low helio-latitude. It is observed that CMEs related GMS events are not always associated with high speed solar wind streams (HSSWSs). In many individual events, the travel time between the explosion on the Sun and maximum activity lies between 58 and 118 h causing GMSs at the Earth.     

X-Ray Absorption Spectroscopy of Strontium(II) Coordination

Detailed analyses of crystalline, hydrated, and precipitated strontium compounds and an aqueous strontium solution by synchrotron extended X-ray absorption fine structure (EXAFS) were used to quantify local thermal and static disorder and to characterize strontium coordination in a variety of oxygen-ligated bonding environments. Analysis of anharmonic vibrational disorder (i.e., significant contribution from a third cumulant term (C(3)) in the EXAFS phase-shift function) in compounds with low and high static disorder around strontium showed that first-shell anharmonic contributions were generally not significant above experimental error in the EXAFS fits (R+/-0.02 ? with and without C(3)). The only case in which a significant apparent decrease in Sr-O distance was observed with increasing temperature, and for which a third cumulant term was significant, was for dilute strontium in aqueous solution. Empirical parameterization of Debye-Waller factor (sigma(2)) for strontium compounds as a function of backscatterer atomic number (Z), interatomic Sr-Z distance, and temperature of spectral data collection showed systematic increases in sigma(2) as a function of increasing temperature and Sr-Z bond length. At values of sigma(2) greater than approximately 0.025 ?(2) (for N<12 and R(Sr)-Z>3 ?), backscattering was generally not significant above noise levels in spectra of compounds of known crystal structure. Comparison of the EXAFS spectra of freshly precipitated SrCO(3) (spectra collected wet) to that of dry, powdered strontianite (SrCO(3)(s)) indicated no significant differences in the local atomic structure around strontium. Analysis of partially hydrated strontium in natural Ca-zeolite (heulandite) showed that strontium is substituted only in the calcium (Ca2) site. Backscattering from aluminum and silicon atoms in the zeolite framework were apparent in the EXAFS spectra at low and room temperature at distances from central strontium of <4.2 ?. Comparison of strontium structural coordination determined in this and previous studies suggests that previous EXAFS determinations of hydrated strontium may have underestimated first-shell interatomic distances and coordination numbers because minor contributions to the EXAFS phase-shift and amplitude functions were not accounted for, either theoretically or empirically. Copyright 2000 Academic Press.     

Biomembrane phospholipid-oxide surface interactions: crystal chemical and thermodynamic basis

Quartz has the least favored surface among many oxides for bacterial attachment and for lipid bilayer or micelle interactions. Tetrahedrally coordinated crystalline silica polymorphs are membranolytic toward liposomes, lysosomes, erythrocytes, and macrophages. Amorphous silica, the octahedral silica polymorph, (stishovite), and oxides such as Al2O3, Fe2 O3, and TiO2 are less cytotoxic. Existing theories for membrane rupture that invoke interactions between oxide surfaces and cell membrane phospholipids (PLs) do not adequately explain these differences in membranolytic potential of the oxides. The author presents a crystal chemical, thermodynamic model for the initial interaction of oxide surfaces with the quaternary ammonium component of the PL's polar head group. The model includes solvation energy changes and electrostatic forces during adsorption, represented by the dielectric constant of the solid and the charge-to-radius ratio of the adsorbing solute. The nature of oxide-solute interactions compared with oxide-water, solute-water, and water-water interactions determines the membranolytic activity of the oxide, where the solute is TMA+, the quaternary ammonium moeity. Significant membrane rupture, as on quartz, requires unfavorable adsorption entropy (DeltaS(ads,TMA+)<0) to maximize disruption of normal membrane structure and requires favorable Gibbs free energy of exchange between TMA+ and the ambient Na+ ions (DeltaG(exc,TMA+/Na+) = DeltaG(ads,TMA+)-DeltaG(ads,Na+)<0) to maximize the extent of membrane affected. For amorphous silica, DeltaS(ads,TMA+) >0, so disruption of structure is limited, even though G(exc,TMA+/Na+) is <0. Stishovite and other oxides have DeltaS(ads,TMA+) <0, but now DeltaG(exc,TMA+/Na+) is>0 at the acidic to circumneutral pHs of cellular and subcellular organelle fluids. The model predicts the correct sequence of membranolytic ability: quartz > or = amorphous SiO2 >Al2O3 >Fe2O3 >TiO2. The model thus explains the relatively poor adhesion of bacterial cells to quartz and the lack of quartz as a biomineral. It is proposed that one function of extracellular polymeric substances exuded by bacteria is to render mineral surfaces more hydrophilic.     

Complexes of divalent oxovanadium,manganese, iron,cobalt, nickel and copper with the ligand derived from the reaction of 2-aminopyridine and acetylacetone

Summary 2-Aminopyridine reacts with acetylacetone in the presence of VO^II, Mn^II, Fe^II, Co^II, Ni^II, and Cu^II metal salts to give complexes of the type [VO(Ap₂ac)₂X]X and [M(Ap₂ac)₂X₂] where (Ap₂ac) is the ligand formedin situ. The complexes are characterised as distorted octahedral by analyses, conductance, molecular weight, magnetic, electronic and i.r. spectral studies. The i.r. studies reveal that two molecules of aminopyridine are joined by a molecule of acetylacetone through a three carbon atom bridge and that the ligand coordinates through the azomethine and imino nitrogen atoms, whereas pyridine does not take part in coordination. The electronic spectra have been interpreted and tentative assignments are made. In the far i.r. spectra, various metal ligand vibrations are observed and discussed. Attempts to carry out electrophilic substitutions in the complexes failed.     

Electrocatalytic treatment of waste: studies on discoloration of an industrial azo dye effluent

A textile dye effluent containing chiefly reactive azo dyes has been treated electrochemically for discoloration and COD (chemical oxygen demand) reduction at different current densities, flow rates and dilution. Experiments have been carried out in a thin electrochemical reactor under single pass conditions using a dimensionally stable catalytic anode (DSA) and a stainless steel cathode.     

Synthesis and characterization of stable nitrenium ion complex: 1-hydroxy-3-methyl benzotriazolium trifluromethane sulfonate

The isolation of stable carbenes of the Arduengo and Wanzlick type has prompted us to look for stable nitrenium ions of the related structural type 1-Hydroxy-3-methyl benzotriazolium trifluromethane sulfonate. Nitrenium ions are azocations with structure and survive long enough under in vitro conditions to bind with biological nucleophiles, i.e. DNA bases, and play an important role in carcinogenic processes involving the metabolism of aromatic amines. The title compound (C₁₅H₁₆F₃N₆O₅S) was isolated and crystallized in the monoclinic space group Cc with cell parameters a = 19.866(1) Å, b = 13.128(9) Å, c = 7.673(5) Å, and Z = 4. The structure has both intra- and intermolecular hydrogen bonds.     

Efficient Process For The Cyclization Of Diastereomeric Alcohol To A Trans Amide In The Synthesis Of Dopamine D1 Agonist,Abt-431

One of the key steps in the synthesis of ABT-431 is the diastereoselective cyclization of thieny alcohol 1 to trans amide 2. We report a detailed study of the influence of acids, solvents and temperature over the ratio of cis and trans diastereomers.