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141.
142.
Preparation and crystal structure of spiro(5,7-dimethoxy-1(1H)oxo-2-benzopyran-3(4H),1′-cyclohexane)
V. K. Gupta D. I. Brahmbhatt U. R. Pandya S. Goswami 《Journal of chemical crystallography》2005,35(4):275-279
Spiro(5,7-dimethoxy-1(1H)oxo-2-benzopyran-3(4H),1-cyclohexane) (C16H20O4) was prepared by alkylation of o-lithio 3,5-dimethoxy-N-methyl benzamide with methylene cyclohexane oxide followed by alkaline hydrolysis and its crystal structure was determined by X-ray crystallographic techniques. The compound crystallizes into monoclinic space group P21/c with unit cell parameters: a = 11.914(3) Å, b = 9.861(3) Å, c = 12.508(7) Å, = 91.34(3), Z = 4. The structure has been solved by direct methods and refined to R = 0.039 for 1870 observed reflections. The heterocyclic ring adopts distorted sofa conformation while cyclohexane ring assumes a highly symmetric
chair conformation. The dihedral angle between the mean planes of isocoumarin nucleus and cyclohexane ring is 105.51(5). Molecules are held together in the crystal by C=H ... O hydrogen bonds. 相似文献
143.
Pandya MJ Cerasoli E Joseph A Stoneman RG Waite E Woolfson DN 《Journal of the American Chemical Society》2004,126(51):17016-17024
To improve our understanding of conformational transitions in proteins, we are attempting the de novo design of peptides that switch structural state. Here, we describe coiled-coil peptides with sequence and structural duality; that is, features compatible with two different coiled-coil motifs superimposed within the same sequence. Specifically, we promoted a parallel leucine-zipper dimer under reducing conditions, and a monomeric helical hairpin in an intramolecularly disulfide bridged state. Using an iterative process, we engineered peptides that formed stable structures consistent with both targets under the different conditions. Finally, for one of the designs, we demonstrated a one-way switch from the helical hairpin to the coiled-coil dimer upon addition of disulfide-reducing agents. 相似文献
144.
Kenwright AM Kuprov I De Luca E Parker D Pandya SU Senanayake PK Smith DG 《Chemical communications (Cambridge, England)》2008,(22):2514-2516
Experimental measurements and theoretical analysis of magnetic properties, structural dynamics and acid-base equilibria for several lanthanide(III) complexes with tetraazacyclododecane derivatives as 19F NMR chemical shift pH probes are presented; pKa values vary between 6.9 and 7.7, with 18 to 40 ppm chemical shift differences between the acidic and basic forms for Ho(III) complexes possessing T1 values of 10 to 30 ms (4.7-9.4 T, 295 K). 相似文献
145.
Shah SA Rathod IS Suhagia BN Pandya SS Parmar VK 《Journal of chromatographic science》2008,46(8):735-738
A simple, rapid, and reproducible reverse-phase high-performance liquid chromatographic method is developed for the estimation of boswellic acids, the active constituents in Boswellia serrata oleo-gum resin. The chromatographic separation is performed using a mobile phase consisting of acetonitrile-water (90:10, % v/v) adjusted to pH 4 with glacial acetic acid on a Kromasil 100 C18 analytical column with flow rate of 2.0 mL/min and detection at 260 nm. The elution times are 4.30 and 7.11 min for 11-keto beta-boswellic acid (11-KBA) and 3-acetyl 11-keto beta-boswellic acid (A-11-KBA), respectively. The calibration curve is linear in the 11.66-58.30 microg/mL and 6.50-32.50 microg/mL range for 11-KBA and A-11-KBA, respectively. The limits of detection are 2.33 microg/mL and 1.30 microg/mL for 11-KBA and A-11-KBA, respectively. The mean recoveries are 98.24% to 104.17% and 94.12% to 105.92% for 11-KBA and A-11-KBA, respectively. The inter- and intra-day variation coefficients are less than 5%. The present method is successfully applied for the estimation of boswellic acids from the market formulations containing Boswellia serrata extract. 相似文献
146.
A simple method to generate an effective electron-ion interaction pseudopotential from the energy wave number characteristic
obtained by first principles calculations has been suggested. This effective potential has been used, in third order perturbation,
to study the effect of three-body forces on the lattice dynamics of noble metals. It is found that three-body forces, in these
metals, do play an important role. The inclusion of such three-body forces appreciably improves the agreement between the
experimental and theoretical phonon dispersion curves. 相似文献
147.
In the framework of relativistic harmonic confinement model for quarks and antiquarks, the masses of S- and P-wave mesons and pseudoscalar decay constants from light flavour to heavy flavour sectors are computed. The residual two-body
Coulomb interaction and the spin-dependent interaction of the confined one gluon exchange effects (COGEP) such as spin-spin
and spin-orbit interactions are perturbatively incorporated with the confinement energy to get the respective vector-pseudoscalar
meson mass differences. Here we employ the same parametrization and model parameters as used in a recent study of low-lying
hadron masses and leptonic decay widths. The results are being compared with the values obtained from other theoretical models
and the experimental values. 相似文献
148.
Effect of etching time and temperature on morphology of etch pits and etch rates in controlled dissolution of calcite by lactic acid it optically investigated in detail. Arrhenius equation is used to determine activation energy which is observed to change with the morphology of etch pits. Further, an attempt is made to understand the mechanism of dissolution by considering Laidler's theory of heterogeneous catalytic reactions. 相似文献
149.
150.
The effects of quenching temperature and orientation of Knoop indenter on microhardness of cleavage planes of synthetic sodium nitrate crystals are studied for the range of applied loads (20–160 g) in the high load region. Phenomenological approach was followed to obtain an empirical relation connecting Knoop hardness number, orientation, and quenching temperature. Anisotropic indices are also determined. The implications are discussed. 相似文献