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Compounds Showing (compound + showing)
Selected AbstractsCrystal structure of 4'-O-methylalpinumisoflavone at 90KCRYSTAL RESEARCH AND TECHNOLOGY, Issue 7 2006R. Kingsford-Adaboh Abstract 4,-O-Methylalpinumisoflavone crystals which hitherto had been difficult to crystallize for X-ray diffraction analyses have been obtained from a demethylated product of O, O-dimethylalpinumisoflavone. The structural and conformational features of the crystal measured at 90 K are reported and compared with previously reported work of O,O-dimethylalpinumisoflavone and 5-O-methyl-4,-O-(3-methyl-but-2-en-1-yl) alpinumisoflavone. Each of these compounds is characterized by a six membered ring that is further fused to a benzopyrone isoflavone moiety resulting in a tricyclic ring system. This six membered ring shows a half-chair conformation in all the molecules studied, with the ring in the title compound showing the least Cremer-Pople puckering amplitude Q and shorter inter and intramolecular contacts. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] When, in the context of drug design, can a fluorine atom successfully substitute a hydroxyl group?INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4 2002Marcin Hoffmann Abstract In this article, we deal with the question of whether a fluorine atom can substitute a hydroxyl group in such a way that will lead to a compound showing a desired biologic activity, that is, a potential new drug. It is obvious that a fluorine atom differs from a hydroxyl group, as it cannot donate hydrogen bonds. However, it can accept them. Moreover, both fluorine and oxygen are of similar size and are the most electronegative elements. Therefore, a fluorine atom is thought to be a good substitute for a hydroxyl group. However, it was shown that for conformationally labile aliphatic compounds a replacement of a hydroxyl by a fluorine increases conformational diversity, so the fluorine-containing aliphatic molecules are present in equilibrium at room temperature as a mixture of several different conformers. In contrast, for cyclic compounds the substitution of an OH group by an F atom does not much change shape and electrostatic potential around corresponding conformers. Moreover, these compounds are present in equilibrium at room temperature in aqueous solution as a mixture of the same most favored structures. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002 [source] Polyolefin nanocomposites: Essential work of fracture analysisPOLYMER ENGINEERING & SCIENCE, Issue 6 2004M. N. Bureau The tensile properties and the fracture toughness, based on the essential work of fracture (EWF) method, of melt-compounded polymer nanocomposites based on polypropylene (PP) with organo-modified clays (montmorillonite) and maleic anhydride (MA),grafted PP coupling agents were studied. Depending on the compounding sequence and on whether a coupling agent was used, some improvements in tensile properties were observed. These improvements were related to the level of dispersion of clay particles. The highest tensile properties were obtained for the PP/clay compound showing the highest surface density of uniform sub-micron particles. The mechanical improvements of the PP/clay compounds were those of a microcomposite in which the fiber reinforcement has an average aspect ratio of 17,35. The PP/clay compounds with coupling agents and with highest surface density of uniform sub-micron particles showed very good fracture toughness, with EWF values slightly higher than those of unfilled PP. Fractographic observations showed that clay particles acted as void nucleation sites, which then grew and coalesced, promoting fibrillation of the remaining material between the voids. The EWF results indicated that the void nucleation density determined the fracture toughness. The EWF results also indicated that the plastic work dissipation related to the stability of the fibrillation, which was promoted by the use of a coupling agent. Polym. Eng. Sci. 44:1142,1151, 2004. © 2004 Society of Plastics Engineers. [source] Retention of aroma compounds: an interlaboratory study on the effect of the composition of food matrices on thermodynamic parameters in comparison with waterJOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, Issue 8 2010Mirela Kopjar Abstract BACKGROUND: Partition coefficients give an indication of the retention of aroma compounds by the food matrix. Data in the literature are obtained by various methods, under various conditions and expressed in various units, and it is thus difficult to compare the results. The aim of the present study was first to obtain gas/water and gas/matrix partition coefficients of selected aroma compounds, at different temperatures, in order to calculate thermodynamic parameters and second to compare the retention of these aroma compounds in different food matrices. RESULTS: Yogurts containing lipids and proteins induced a higher retention of aroma compounds than model gel matrices. The observed effects strongly depend on hydrophobicity of aroma compounds showing a retention for ethyl hexanoate and a salting out effect for ethyl acetate. A small but noticeable decrease in enthalpy of affinity is observed for ethyl butyrate and ethyl hexanoate between water and food matrices, suggesting that the energy needed for the volatilization is lower in matrices than in water. CONCLUSION: The composition and complexity of a food matrix influence gas/matrix partition coefficients or aroma compounds in function of their hydrophobicity and to a lower extent enthalpy of vaporization. Copyright © 2010 Society of Chemical Industry [source] Dipotassium trimanganese(II) tetrakis(hydrogenphosphite), K2[Mn3(HPO3)4]ACTA CRYSTALLOGRAPHICA SECTION C, Issue 7 2009Farida Hamchaoui The title compound is a new mixed alkali/3d metal phosphite. It exhibits a layered structure formed by linear Mn3O12 trimer units which contain face-sharing MnO6 octahedra interconnected by (HPO3)2, phosphite oxoanions. The K+ cations located between the anionic [Mn3(HPO3)4]2, sheets are ninefold coordinated. The presence of the alkaline ion leads to the highest symmetry and shortest interlayer distance compared with two previous compounds showing the same anionic framework and having ammonium salts as cations. The compound crystallizes in the space group Rm, with two crystallographically independent Mn atoms occupying sites of m and 3m symmetry. All the other atoms, except for the phosphite O atoms, are located on special positions with 3m symmetry. [source] Inconsistency of Reported Uremic Toxin ConcentrationsARTIFICIAL ORGANS, Issue 8 2007Natalie Meert Abstract:, Discrepancies in reported uremic toxin concentrations were evaluated for 78 retention solutes. For this analysis, 378 publications were screened. Up to eight publications per toxin were retained. The highest and the lowest reported concentrations, as well as the median reported concentration were registered. The ratio between the highest and the lowest (H/L) concentrations and, for some solutes, also the ratio between the highest and the median (H/M) concentrations were calculated. The compounds were arbitrarily subdivided into three groups based on their H/L ratio: group A, H/L < 3 (n = 33); group B, 3 < H/L < 8.5 (n = 20); and group C, H/L > 8.5 (n = 25). Solutes of groups A and B showed a low to intermediate scatter, suggesting a homogeneity of reported data. Group C showed a more substantial scatter. For at least 10 compounds of group C, extremely divergent concentrations were registered (H/M > 5.5) using scatter plot analysis. For all solutes of groups A and B, the highest reported concentration could be used as a reference. For some solutes of group C and for the compounds showing a divergent scatter analysis, however, more refined directives should be followed. [source] High-Spin- and Low-Spin-State Structures of [Fe(chloroethyltetrazole)6](ClO4)2 from Synchrotron Powder Diffraction DataCHEMISTRY - A EUROPEAN JOURNAL, Issue 19 2006Eva Dova Dr. Abstract The spin-crossover complex [Fe(teec)6](ClO4)2 (teec = chloroethyltetrazole) exhibits a 50,% incomplete spin crossover in the temperature range 300,30 K. Time-resolved synchrotron powder diffraction experiments have been carried out to elucidate its structural behavior. We report crystal structure models of this material at 300 K (high spin) and 90 K (low spin), as solved from synchrotron powder diffraction data by using Genetic Algorithm and Parallel Tempering techniques and refined with Rietveld refinement. During short synchrotron powder diffraction experiments (five minutes duration) two distinguishable lattices were observed the quantities of which vary with temperature. The implication of this phenomenon, that is interpreted as a structural phase transition associated with the high-to-low spin crossover, and the structural characteristics of the high-spin and low-spin models are discussed in relation to other compounds showing a similar type of spin-crossover behavior. [source] | ||||||||||